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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine

C232H309Cl7F13N27O6S5 — CID 162282063

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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-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)c1cccc2c1OCC2.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn[nH]c1-c1ccccc1.CC(C)c1cn[nH]c1C1CCCCC1.CC(C)c1cnc(Cl)cn1.CC(C)c1cncc(Cl)c1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1csnn1.CC(C)c1n[nH]c2c1CCC2.CC(C)c1nc2ccccc2n1C.CCc1cc(C(C)C)n(C)n1.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
InChIInChI=1S/C12H20N2.C12H14N2.C11H14N2.C11H14O.3C10H13Cl.C10H12F2.C10H11NS.C9H11F3O.2C9H10F2O.2C9H14N2.C9H16N2.C9H10N2.C9H13N.C8H9ClFN.C8H10ClNO.C8H10ClN.C8H11F3N2.C8H12OS.C7H9ClN2.2C6H9NS.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;1-8(2)10-5-3-4-9-6-7-12-11(9)10;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;1-6(2)9-7-4-3-5-8(7)10-11-9;1-5-8-6-9(7(2)3)11(4)10-8;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)8-7(9-3)4-5-10-8;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;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;3-5,8H,6-7H2,1-2H3;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);6H,3-5H2,1-2H3,(H,10,11);6-7H,5H2,1-4H3;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;4-6H,1-3H3;3-5H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyWHPZCQILMCDPIC-UHFFFAOYSA-N
MW4227.69 g/mol
LogP72.70
Rot. Bonds31

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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 162282063) has the molecular formula C232H309Cl7F13N27O6S5 and a molecular weight of 4227.69 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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
PubChem CID162282063
Molecular FormulaC232H309Cl7F13N27O6S5
Molecular Weight4227.69 g/mol
Exact Mass4221.09
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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-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)c1cccc2c1OCC2.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn[nH]c1-c1ccccc1.CC(C)c1cn[nH]c1C1CCCCC1.CC(C)c1cnc(Cl)cn1.CC(C)c1cncc(Cl)c1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1csnn1.CC(C)c1n[nH]c2c1CCC2.CC(C)c1nc2ccccc2n1C.CCc1cc(C(C)C)n(C)n1.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
InChIInChI=1S/C12H20N2.C12H14N2.C11H14N2.C11H14O.3C10H13Cl.C10H12F2.C10H11NS.C9H11F3O.2C9H10F2O.2C9H14N2.C9H16N2.C9H10N2.C9H13N.C8H9ClFN.C8H10ClNO.C8H10ClN.C8H11F3N2.C8H12OS.C7H9ClN2.2C6H9NS.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;1-8(2)10-5-3-4-9-6-7-12-11(9)10;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;1-6(2)9-7-4-3-5-8(7)10-11-9;1-5-8-6-9(7(2)3)11(4)10-8;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)8-7(9-3)4-5-10-8;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;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;3-5,8H,6-7H2,1-2H3;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);6H,3-5H2,1-2H3,(H,10,11);6-7H,5H2,1-4H3;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;4-6H,1-3H3;3-5H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyWHPZCQILMCDPIC-UHFFFAOYSA-N
XLogP72.70
TPSA438.68 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004227.69
LogP ≤ 572.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine with MolForge

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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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine (CID 162282063) 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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-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)c1cccc2c1OCC2.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn[nH]c1-c1ccccc1.CC(C)c1cn[nH]c1C1CCCCC1.CC(C)c1cnc(Cl)cn1.CC(C)c1cncc(Cl)c1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1csnn1.CC(C)c1n[nH]c2c1CCC2.CC(C)c1nc2ccccc2n1C.CCc1cc(C(C)C)n(C)n1.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.
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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is WHPZCQILMCDPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C12H14N2.C11H14N2.C11H14O.3C10H13Cl.C10H12F2.C10H11NS.C9H11F3O.2C9H10F2O.2C9H14N2.C9H16N2.C9H10N2.C9H13N.C8H9ClFN.C8H10ClNO.C8H10ClN.C8H11F3N2.C8H12OS.C7H9ClN2.2C6H9NS.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;1-8(2)10-5-3-4-9-6-7-12-11(9)10;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;1-6(2)9-7-4-3-5-8(7)10-11-9;1-5-8-6-9(7(2)3)11(4)10-8;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)8-7(9-3)4-5-10-8;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;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;3-5,8H,6-7H2,1-2H3;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);6H,3-5H2,1-2H3,(H,10,11);6-7H,5H2,1-4H3;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;4-6H,1-3H3;3-5H,1-2H3;2*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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 4227.69 g/mol, XLogP of 72.70, 31 rotatable bonds, 7 hydrogen bond donors, and 33 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-ethyl-1-methyl-5-propan-2-ylpyrazole;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 162282063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).