3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one

C243H329BrClF4N29O11 — CID 158063422

IUPAC3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C(F)(F)F)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CCOc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccncc1C(C)C.Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cc1O
InChIInChI=1S/C13H15N.C12H13N.C11H15NO.C10H12N2.C10H15NO.C10H15N.2C10H14.C9H10F3NO.6C9H13NO.C9H13N.C8H10BrN.C8H10ClN.C8H10FN.2C8H11NO.3C8H11N.3C7H10N2/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-4-12-10-6-5-9(7-11-10)8(2)3;1-7(2)10-6-11-9(4)5-8(10)3;2*1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-8(14)13(5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;1-7(2)9-6-10-5-4-8(9)3;3*1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h4-9H,1-3H3;3-9H,1-2H3;3,6-8,10H,4-5H2,1-2H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;5-7H,1-4H3;2*4-8H,1-3H3;3-6H,1-2H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;3*3-6H,1-2H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyFKXWSECRYKZWKT-UHFFFAOYSA-N
MW4023.85 g/mol
LogP62.47
Rot. Bonds31

About 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one

3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 158063422) has the molecular formula C243H329BrClF4N29O11 and a molecular weight of 4023.85 g/mol. Its IUPAC name is 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
PubChem CID158063422
Molecular FormulaC243H329BrClF4N29O11
Molecular Weight4023.85 g/mol
Exact Mass4019.49
IUPAC Name3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C(F)(F)F)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CCOc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccncc1C(C)C.Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cc1O
InChIInChI=1S/C13H15N.C12H13N.C11H15NO.C10H12N2.C10H15NO.C10H15N.2C10H14.C9H10F3NO.6C9H13NO.C9H13N.C8H10BrN.C8H10ClN.C8H10FN.2C8H11NO.3C8H11N.3C7H10N2/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-4-12-10-6-5-9(7-11-10)8(2)3;1-7(2)10-6-11-9(4)5-8(10)3;2*1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-8(14)13(5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;1-7(2)9-6-10-5-4-8(9)3;3*1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h4-9H,1-3H3;3-9H,1-2H3;3,6-8,10H,4-5H2,1-2H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;5-7H,1-4H3;2*4-8H,1-3H3;3-6H,1-2H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;3*3-6H,1-2H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyFKXWSECRYKZWKT-UHFFFAOYSA-N
XLogP62.47
TPSA530.74 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004023.85
LogP ≤ 562.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one (CID 158063422) is 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one is CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C(F)(F)F)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CCOc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccncc1C(C)C.Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cc1O.
What is the InChIKey of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is FKXWSECRYKZWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H13N.C11H15NO.C10H12N2.C10H15NO.C10H15N.2C10H14.C9H10F3NO.6C9H13NO.C9H13N.C8H10BrN.C8H10ClN.C8H10FN.2C8H11NO.3C8H11N.3C7H10N2/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-4-12-10-6-5-9(7-11-10)8(2)3;1-7(2)10-6-11-9(4)5-8(10)3;2*1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-8(14)13(5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;1-7(2)9-6-10-5-4-8(9)3;3*1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h4-9H,1-3H3;3-9H,1-2H3;3,6-8,10H,4-5H2,1-2H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;5-7H,1-4H3;2*4-8H,1-3H3;3-6H,1-2H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;3*3-6H,1-2H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 4023.85 g/mol, XLogP of 62.47, 31 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylisoquinoline;4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 158063422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).