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

C179H232Cl4F10N22O5S6 — CID 162282062

IUPAC2-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
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(-c2cccnc2)cc1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn2ccsc2n1.CC(C)c1cn[nH]c1C1CCCCC1.CC(C)c1cncc(Cl)c1.CC(C)c1cnnc2ccccc12.CC(C)c1cscn1.CC(C)c1csnn1.COc1ccsc1C(C)C.Cc1c(F)cc(F)cc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1nc(C(C)C)c(C(F)(F)F)s1.Cc1ncoc1C(C)C
InChIInChI=1S/C14H15N.C12H20N2.C11H12N2.C10H13Cl.C10H12F2.C10H13N3.C10H11NS.2C9H10F2O.C9H14N2.C9H13N.C8H9ClFN.C8H10ClNO.C8H10ClN.C8H10F3NS.C8H10N2S.C8H12OS.C7H11NO.C6H9NS.C5H8N2S/c1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10;1-8(2)10-7-12-13-11-6-4-3-5-9(10)11;1-7(2)10-5-4-9(11)6-8(10)3;1-6(2)9-4-8(11)5-10(12)7(9)3;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3;1-7(2)9-6-8-4-3-5-11-10(8)12-9;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)9-6-8(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;1-4(2)6-7(8(9,10)11)13-5(3)12-6;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)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/h3-11H,1-2H3;8-10H,3-7H2,1-2H3,(H,13,14);3-8H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;2*3-5,12H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;4H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyQCJSOGVEKPXTPP-UHFFFAOYSA-N
MW3296.17 g/mol
LogP56.43
Rot. Bonds24

About 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

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 (PubChem CID 162282062) has the molecular formula C179H232Cl4F10N22O5S6 and a molecular weight of 3296.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162282062
Molecular FormulaC179H232Cl4F10N22O5S6
Molecular Weight3296.17 g/mol
Exact Mass3291.55
IUPAC Name2-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
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(-c2cccnc2)cc1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn2ccsc2n1.CC(C)c1cn[nH]c1C1CCCCC1.CC(C)c1cncc(Cl)c1.CC(C)c1cnnc2ccccc12.CC(C)c1cscn1.CC(C)c1csnn1.COc1ccsc1C(C)C.Cc1c(F)cc(F)cc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1nc(C(C)C)c(C(F)(F)F)s1.Cc1ncoc1C(C)C
InChIInChI=1S/C14H15N.C12H20N2.C11H12N2.C10H13Cl.C10H12F2.C10H13N3.C10H11NS.2C9H10F2O.C9H14N2.C9H13N.C8H9ClFN.C8H10ClNO.C8H10ClN.C8H10F3NS.C8H10N2S.C8H12OS.C7H11NO.C6H9NS.C5H8N2S/c1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10;1-8(2)10-7-12-13-11-6-4-3-5-9(10)11;1-7(2)10-5-4-9(11)6-8(10)3;1-6(2)9-4-8(11)5-10(12)7(9)3;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3;1-7(2)9-6-8-4-3-5-11-10(8)12-9;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)9-6-8(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;1-4(2)6-7(8(9,10)11)13-5(3)12-6;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)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/h3-11H,1-2H3;8-10H,3-7H2,1-2H3,(H,13,14);3-8H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;2*3-5,12H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;4H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyQCJSOGVEKPXTPP-UHFFFAOYSA-N
XLogP56.43
TPSA355.74 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003296.17
LogP ≤ 556.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5-chloro-1,3-difluoro-2-methylbenzene;4-chloro-1,2-dimethylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-4-methylbenzene;1,3-difluoro-5-isocyano-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;3,5-difluoro-2-methylpyridine;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;2-fluoro-4-isocyano-1-methylbenzene;1-fluoro-4-methylbenzene;bis(5-fluoro-2-methylpyridine);5-fluoro-2-methylpyrimidine;5-fluoro-4-methylpyrimidine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;1-methoxy-4-methylbenzene;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methyl-4-phenylpyrimidine;2-methylthiophene;2-methyl-4-(trifluoromethyl)-1,3-thiazole;1,2,4-trifluoro-5-methylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene
CID 157901516
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
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
CID 162282063
CID 162282063
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
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 158671324
5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one
CID 159398713
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 160604998
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 161002155

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(-c2cccnc2)cc1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn2ccsc2n1.CC(C)c1cn[nH]c1C1CCCCC1.CC(C)c1cncc(Cl)c1.CC(C)c1cnnc2ccccc12.CC(C)c1cscn1.CC(C)c1csnn1.COc1ccsc1C(C)C.Cc1c(F)cc(F)cc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1nc(C(C)C)c(C(F)(F)F)s1.Cc1ncoc1C(C)C.
What is the InChIKey of 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?
The InChIKey is QCJSOGVEKPXTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C12H20N2.C11H12N2.C10H13Cl.C10H12F2.C10H13N3.C10H11NS.2C9H10F2O.C9H14N2.C9H13N.C8H9ClFN.C8H10ClNO.C8H10ClN.C8H10F3NS.C8H10N2S.C8H12OS.C7H11NO.C6H9NS.C5H8N2S/c1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10;1-8(2)10-7-12-13-11-6-4-3-5-9(10)11;1-7(2)10-5-4-9(11)6-8(10)3;1-6(2)9-4-8(11)5-10(12)7(9)3;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3;1-7(2)9-6-8-4-3-5-11-10(8)12-9;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)9-6-8(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;1-4(2)6-7(8(9,10)11)13-5(3)12-6;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)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/h3-11H,1-2H3;8-10H,3-7H2,1-2H3,(H,13,14);3-8H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;2*3-5,12H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;4H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;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;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?
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 has a molecular weight of 3296.17 g/mol, XLogP of 56.43, 24 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162282062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).