2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine

C212H277Cl7F13N25O5S6 — CID 162282064

IUPAC2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1cc(C2CC2)[nH]n1.CC(C)c1cc(Cl)c[nH]c1=O.CC(C)c1cc(O)cc(F)c1F.CC(C)c1cc2cccnc2s1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn2ccsc2n1.CC(C)c1cn[nH]c1-c1ccccc1.CC(C)c1cn[nH]c1C1CCCCC1.CC(C)c1cnc(Cl)cn1.CC(C)c1cncc(Cl)c1.CC(C)c1cscn1.CC(C)c1csnn1.CC(C)c1nc2ccccc2n1C.COc1ccsc1C(C)C.Cc1c(Cl)cccc1C(C)C.Cc1c(F)cc(F)cc1C(C)C.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1Cl.Cc1ccnc(C(C)C)c1.Cc1ncsc1C(C)C
InChIInChI=1S/C12H20N2.C12H14N2.C11H14N2.3C10H13Cl.C10H12F2.C10H11NS.C9H11F3O.2C9H10F2O.C9H14N2.C9H10N2.C9H13N.C8H9ClFN.C8H10ClNO.C8H10ClN.C8H11F3N2.C8H10N2S.C8H12OS.C7H9ClN2.C7H11NS.C6H9NS.C5H8N2S/c2*1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)9-4-8(11)5-10(12)7(9)3;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)7-3-6(12)4-8(10)9(7)11;1-5(2)6-3-4-7(10)8(11)9(6)12;1-6(2)8-5-9(11-10-8)7-3-4-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-6-8(3)4-5-10-9;1-5(2)6-3-4-11-8(9)7(6)10;1-5(2)7-3-6(9)4-10-8(7)11;1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)7-5-10-3-4-11-8(10)9-7;1-6(2)8-7(9-3)4-5-10-8;1-5(2)6-3-10-7(8)4-9-6;1-5(2)7-6(3)8-4-9-7;1-5(2)6-3-8-4-7-6;1-4(2)5-3-8-7-6-5/h8-10H,3-7H2,1-2H3,(H,13,14);3-9H,1-2H3,(H,13,14);4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*3-5,12H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);3-4,6-7H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyPXCSQNCRDHKGNB-UHFFFAOYSA-N
MW3943.26 g/mol
LogP68.65
Rot. Bonds28

About 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine

2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 162282064) has the molecular formula C212H277Cl7F13N25O5S6 and a molecular weight of 3943.26 g/mol. Its IUPAC name is 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
PubChem CID162282064
Molecular FormulaC212H277Cl7F13N25O5S6
Molecular Weight3943.26 g/mol
Exact Mass3936.81
IUPAC Name2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1cc(C2CC2)[nH]n1.CC(C)c1cc(Cl)c[nH]c1=O.CC(C)c1cc(O)cc(F)c1F.CC(C)c1cc2cccnc2s1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn2ccsc2n1.CC(C)c1cn[nH]c1-c1ccccc1.CC(C)c1cn[nH]c1C1CCCCC1.CC(C)c1cnc(Cl)cn1.CC(C)c1cncc(Cl)c1.CC(C)c1cscn1.CC(C)c1csnn1.CC(C)c1nc2ccccc2n1C.COc1ccsc1C(C)C.Cc1c(Cl)cccc1C(C)C.Cc1c(F)cc(F)cc1C(C)C.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1Cl.Cc1ccnc(C(C)C)c1.Cc1ncsc1C(C)C
InChIInChI=1S/C12H20N2.C12H14N2.C11H14N2.3C10H13Cl.C10H12F2.C10H11NS.C9H11F3O.2C9H10F2O.C9H14N2.C9H10N2.C9H13N.C8H9ClFN.C8H10ClNO.C8H10ClN.C8H11F3N2.C8H10N2S.C8H12OS.C7H9ClN2.C7H11NS.C6H9NS.C5H8N2S/c2*1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)9-4-8(11)5-10(12)7(9)3;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)7-3-6(12)4-8(10)9(7)11;1-5(2)6-3-4-7(10)8(11)9(6)12;1-6(2)8-5-9(11-10-8)7-3-4-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-6-8(3)4-5-10-9;1-5(2)6-3-4-11-8(9)7(6)10;1-5(2)7-3-6(9)4-10-8(7)11;1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)7-5-10-3-4-11-8(10)9-7;1-6(2)8-7(9-3)4-5-10-8;1-5(2)6-3-10-7(8)4-9-6;1-5(2)7-6(3)8-4-9-7;1-5(2)6-3-8-4-7-6;1-4(2)5-3-8-7-6-5/h8-10H,3-7H2,1-2H3,(H,13,14);3-9H,1-2H3,(H,13,14);4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*3-5,12H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);3-4,6-7H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyPXCSQNCRDHKGNB-UHFFFAOYSA-N
XLogP68.65
TPSA400.25 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003943.26
LogP ≤ 568.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylphenol;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 159579774
CID 161254180
CID 161254180
2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-fluoro-3-methyl-6-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine
CID 162268271
CID 162268766
CID 162268766
CID 162268850
CID 162268850
2-chloro-3-fluoro-4-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;6-propan-2-ylpyridine-3-carbonitrile;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine
CID 162268969
1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 162282016
CID 162282061
CID 162282061
2-chloro-3-fluoro-4-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzotriazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole;4-propan-2-ylcinnoline;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-(4-propan-2-ylphenyl)pyridine;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
CID 162282062
CID 162282063
CID 162282063
1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole
CID 162282133
3-chloro-2-propan-2-ylthiophene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylphenol;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(3-methyl-4-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile
CID 160688961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine (CID 162282064) is 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine is CC(C)c1cc(C2CC2)[nH]n1.CC(C)c1cc(Cl)c[nH]c1=O.CC(C)c1cc(O)cc(F)c1F.CC(C)c1cc2cccnc2s1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn2ccsc2n1.CC(C)c1cn[nH]c1-c1ccccc1.CC(C)c1cn[nH]c1C1CCCCC1.CC(C)c1cnc(Cl)cn1.CC(C)c1cncc(Cl)c1.CC(C)c1cscn1.CC(C)c1csnn1.CC(C)c1nc2ccccc2n1C.COc1ccsc1C(C)C.Cc1c(Cl)cccc1C(C)C.Cc1c(F)cc(F)cc1C(C)C.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1Cl.Cc1ccnc(C(C)C)c1.Cc1ncsc1C(C)C.
What is the InChIKey of 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is PXCSQNCRDHKGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C12H14N2.C11H14N2.3C10H13Cl.C10H12F2.C10H11NS.C9H11F3O.2C9H10F2O.C9H14N2.C9H10N2.C9H13N.C8H9ClFN.C8H10ClNO.C8H10ClN.C8H11F3N2.C8H10N2S.C8H12OS.C7H9ClN2.C7H11NS.C6H9NS.C5H8N2S/c2*1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)9-4-8(11)5-10(12)7(9)3;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)7-3-6(12)4-8(10)9(7)11;1-5(2)6-3-4-7(10)8(11)9(6)12;1-6(2)8-5-9(11-10-8)7-3-4-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-6-8(3)4-5-10-9;1-5(2)6-3-4-11-8(9)7(6)10;1-5(2)7-3-6(9)4-10-8(7)11;1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)7-5-10-3-4-11-8(10)9-7;1-6(2)8-7(9-3)4-5-10-8;1-5(2)6-3-10-7(8)4-9-6;1-5(2)7-6(3)8-4-9-7;1-5(2)6-3-8-4-7-6;1-4(2)5-3-8-7-6-5/h8-10H,3-7H2,1-2H3,(H,13,14);3-9H,1-2H3,(H,13,14);4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*3-5,12H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);3-4,6-7H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine?
2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 3943.26 g/mol, XLogP of 68.65, 28 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 162282064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).