1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide

C241H295Cl4F5N30O13S2 — CID 158197722

IUPAC1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(C)c1.CC(=O)c1cccc(C)n1.CC1=CCC=C1.CCOc1cccc(C)n1.CNC(=O)c1cccc(C)c1.CNC(=O)c1cccc(C)n1.COc1cccc(C)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(F)cn1.Cc1cccc(C(=O)N(C)C)n1.Cc1cccc(C(C)(C)C(F)(F)F)n1.Cc1cccc(C(C)(C)F)n1.Cc1cccc(C(C)(C)O)n1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cccc(C2(C)COC2)n1.Cc1cccc(C2(O)CCC2)n1.Cc1cccc(C2CC2)n1.Cc1cccc(Cl)c1.Cc1cccc(N2CCCC2=O)n1.Cc1cccc(OC(C)C)n1.Cc1cccc(OC2CC2)n1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccn1.Cc1cccnc1.Cc1cccs1.Cc1cnccn1.Cc1ncccn1.Cc1nccs1
InChIInChI=1S/C10H12F3N.C10H12N2O.2C10H13NO.C9H12FN.C9H12N2O.C9H11NO.2C9H13NO.C9H11NO.C9H11N.C9H10O.C8H10N2O.C8H9NO.C8H11NO.3C7H7Cl.C7H9NO.3C7H9N.C7H8.C6H6ClN.C6H6FN.2C6H7N.C6H8.2C5H6N2.C5H6S.C4H5NS/c1-7-5-4-6-8(14-7)9(2,3)10(11,12)13;1-8-4-2-5-9(11-8)12-7-3-6-10(12)13;1-8-4-3-5-9(11-8)10(2)6-12-7-10;1-8-4-2-5-9(11-8)10(12)6-3-7-10;1-7-5-4-6-8(11-7)9(2,3)10;1-7-5-4-6-8(10-7)9(12)11(2)3;1-7-3-2-4-9(10-7)11-8-5-6-8;1-7-5-4-6-8(10-7)9(2,3)11;1-7(2)11-9-6-4-5-8(3)10-9;1-7-4-3-5-8(6-7)9(11)10-2;1-7-3-2-4-9(10-7)8-5-6-8;1-7-4-3-5-9(6-7)8(2)10;1-6-4-3-5-7(10-6)8(11)9-2;1-6-4-3-5-8(9-6)7(2)10;1-3-10-8-6-4-5-7(2)9-8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-4-3-5-7(8-6)9-2;3*1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;2*1-5-2-3-6(7)4-8-5;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-6H,1-3H3;2,4-5H,3,6-7H2,1H3;3-5H,6-7H2,1-2H3;2,4-5,12H,3,6-7H2,1H3;4-6H,1-3H3;4-6H,1-3H3;2-4,8H,5-6H2,1H3;4-6,11H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,10,11);2-4,8H,5-6H2,1H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,11);3-5H,1-2H3;4-6H,3H2,1-2H3;3*2-5H,1H3;3-5H,1-2H3;3*3-5H,1-2H3;2-6H,1H3;2*2-4H,1H3;2*2-5H,1H3;2,4-5H,3H2,1H3;2*2-4H,1H3;2-4H,1H3;2-3H,1H3
InChIKeyGANSGTZEZNXDER-UHFFFAOYSA-N
MW4121.14 g/mol
LogP57.31
Rot. Bonds19

About 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide

1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide (PubChem CID 158197722) has the molecular formula C241H295Cl4F5N30O13S2 and a molecular weight of 4121.14 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide
PubChem CID158197722
Molecular FormulaC241H295Cl4F5N30O13S2
Molecular Weight4121.14 g/mol
Exact Mass4116.15
IUPAC Name1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(C)c1.CC(=O)c1cccc(C)n1.CC1=CCC=C1.CCOc1cccc(C)n1.CNC(=O)c1cccc(C)c1.CNC(=O)c1cccc(C)n1.COc1cccc(C)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(F)cn1.Cc1cccc(C(=O)N(C)C)n1.Cc1cccc(C(C)(C)C(F)(F)F)n1.Cc1cccc(C(C)(C)F)n1.Cc1cccc(C(C)(C)O)n1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cccc(C2(C)COC2)n1.Cc1cccc(C2(O)CCC2)n1.Cc1cccc(C2CC2)n1.Cc1cccc(Cl)c1.Cc1cccc(N2CCCC2=O)n1.Cc1cccc(OC(C)C)n1.Cc1cccc(OC2CC2)n1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccn1.Cc1cccnc1.Cc1cccs1.Cc1cnccn1.Cc1ncccn1.Cc1nccs1
InChIInChI=1S/C10H12F3N.C10H12N2O.2C10H13NO.C9H12FN.C9H12N2O.C9H11NO.2C9H13NO.C9H11NO.C9H11N.C9H10O.C8H10N2O.C8H9NO.C8H11NO.3C7H7Cl.C7H9NO.3C7H9N.C7H8.C6H6ClN.C6H6FN.2C6H7N.C6H8.2C5H6N2.C5H6S.C4H5NS/c1-7-5-4-6-8(14-7)9(2,3)10(11,12)13;1-8-4-2-5-9(11-8)12-7-3-6-10(12)13;1-8-4-3-5-9(11-8)10(2)6-12-7-10;1-8-4-2-5-9(11-8)10(12)6-3-7-10;1-7-5-4-6-8(11-7)9(2,3)10;1-7-5-4-6-8(10-7)9(12)11(2)3;1-7-3-2-4-9(10-7)11-8-5-6-8;1-7-5-4-6-8(10-7)9(2,3)11;1-7(2)11-9-6-4-5-8(3)10-9;1-7-4-3-5-8(6-7)9(11)10-2;1-7-3-2-4-9(10-7)8-5-6-8;1-7-4-3-5-9(6-7)8(2)10;1-6-4-3-5-7(10-6)8(11)9-2;1-6-4-3-5-8(9-6)7(2)10;1-3-10-8-6-4-5-7(2)9-8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-4-3-5-7(8-6)9-2;3*1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;2*1-5-2-3-6(7)4-8-5;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-6H,1-3H3;2,4-5H,3,6-7H2,1H3;3-5H,6-7H2,1-2H3;2,4-5,12H,3,6-7H2,1H3;4-6H,1-3H3;4-6H,1-3H3;2-4,8H,5-6H2,1H3;4-6,11H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,10,11);2-4,8H,5-6H2,1H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,11);3-5H,1-2H3;4-6H,3H2,1-2H3;3*2-5H,1H3;3-5H,1-2H3;3*3-5H,1-2H3;2-6H,1H3;2*2-4H,1H3;2*2-5H,1H3;2,4-5H,3H2,1H3;2*2-4H,1H3;2-4H,1H3;2-3H,1H3
InChIKeyGANSGTZEZNXDER-UHFFFAOYSA-N
XLogP57.31
TPSA554.71 Ų
H-Bond Donors4
H-Bond Acceptors41
Rotatable Bonds19
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004121.14
LogP ≤ 557.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1041

Analyze 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

but-1-ene;2-tert-butyl-6-methylpyridine;1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2-chloro-6-methylpyridine;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;N,3-dimethylbenzamide;N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;2-(3-fluorooxetan-3-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;3-methylbenzamide;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;6-methylpyridine-2-carboxamide;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;2-methyl-6-(trifluoromethyl)pyridine;toluene;1,1,1-trifluoro-2-(6-methyl-2-pyridinyl)propan-2-ol;N,N,6-trimethylpyridine-2-carboxamide
CID 159183740
but-1-ene;2-tert-butyl-6-methylpyridine;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-6-methylpyridine;5-chloro-2-methylpyridine;N,3-dimethylbenzamide;2,6-dimethylpyridine;N,6-dimethylpyridine-2-carboxamide;5-fluoro-2-methylpyridine;2-(3-fluorooxetan-3-yl)-6-methylpyridine;methane;1-(3-methylphenyl)ethanone;2-methylpyrazine;2-methylpyridine;3-methylpyridine;6-methylpyridine-2-carboxamide;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide;1,3-xylene
CID 161290840
1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2-chloro-6-methylpyridine;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;N,3-dimethylbenzamide;N,6-dimethylpyridine-2-carboxamide;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;2-(3-fluorooxetan-3-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;3-methylbenzamide;2-methylpyrazine;2-methylpyridine;6-methylpyridine-2-carboxamide;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;2-methyl-6-(trifluoromethyl)pyridine;toluene;1,1,1-trifluoro-2-(6-methyl-2-pyridinyl)propan-2-ol;N,N,6-trimethylpyridine-2-carboxamide
CID 161630973
tert-butyl N-[[1-(methylcarbamoyl)cyclopropyl]methyl]carbamate;1-chloro-3-methylbenzene;1-cyclobutylpropan-1-one;1-cyclopropylpropan-1-one;2,5-dimethylpyrazine;1-(3,5-dimethylthiophen-2-yl)propan-1-one;1-(1-ethynylcyclopropyl)propan-1-one;1-fluoro-2-methylbenzene;1-fluoro-4-propylbenzene;1-methoxy-2-methylbenzene;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;bis(5-methyl-2-piperidin-1-ylpyridine);5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;1-(5-methyl-1,3-thiazol-2-yl)propan-1-one;toluene;1-[1-(trifluoromethyl)cyclobutyl]propan-1-one
CID 162144295

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide?
The IUPAC name of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide (CID 158197722) is 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide?
The canonical SMILES for 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide is CC(=O)c1cccc(C)c1.CC(=O)c1cccc(C)n1.CC1=CCC=C1.CCOc1cccc(C)n1.CNC(=O)c1cccc(C)c1.CNC(=O)c1cccc(C)n1.COc1cccc(C)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(F)cn1.Cc1cccc(C(=O)N(C)C)n1.Cc1cccc(C(C)(C)C(F)(F)F)n1.Cc1cccc(C(C)(C)F)n1.Cc1cccc(C(C)(C)O)n1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cccc(C2(C)COC2)n1.Cc1cccc(C2(O)CCC2)n1.Cc1cccc(C2CC2)n1.Cc1cccc(Cl)c1.Cc1cccc(N2CCCC2=O)n1.Cc1cccc(OC(C)C)n1.Cc1cccc(OC2CC2)n1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccn1.Cc1cccnc1.Cc1cccs1.Cc1cnccn1.Cc1ncccn1.Cc1nccs1.
What is the InChIKey of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide?
The InChIKey is GANSGTZEZNXDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.C10H12N2O.2C10H13NO.C9H12FN.C9H12N2O.C9H11NO.2C9H13NO.C9H11NO.C9H11N.C9H10O.C8H10N2O.C8H9NO.C8H11NO.3C7H7Cl.C7H9NO.3C7H9N.C7H8.C6H6ClN.C6H6FN.2C6H7N.C6H8.2C5H6N2.C5H6S.C4H5NS/c1-7-5-4-6-8(14-7)9(2,3)10(11,12)13;1-8-4-2-5-9(11-8)12-7-3-6-10(12)13;1-8-4-3-5-9(11-8)10(2)6-12-7-10;1-8-4-2-5-9(11-8)10(12)6-3-7-10;1-7-5-4-6-8(11-7)9(2,3)10;1-7-5-4-6-8(10-7)9(12)11(2)3;1-7-3-2-4-9(10-7)11-8-5-6-8;1-7-5-4-6-8(10-7)9(2,3)11;1-7(2)11-9-6-4-5-8(3)10-9;1-7-4-3-5-8(6-7)9(11)10-2;1-7-3-2-4-9(10-7)8-5-6-8;1-7-4-3-5-9(6-7)8(2)10;1-6-4-3-5-7(10-6)8(11)9-2;1-6-4-3-5-8(9-6)7(2)10;1-3-10-8-6-4-5-7(2)9-8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-4-3-5-7(8-6)9-2;3*1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;2*1-5-2-3-6(7)4-8-5;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-6H,1-3H3;2,4-5H,3,6-7H2,1H3;3-5H,6-7H2,1-2H3;2,4-5,12H,3,6-7H2,1H3;4-6H,1-3H3;4-6H,1-3H3;2-4,8H,5-6H2,1H3;4-6,11H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,10,11);2-4,8H,5-6H2,1H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,11);3-5H,1-2H3;4-6H,3H2,1-2H3;3*2-5H,1H3;3-5H,1-2H3;3*3-5H,1-2H3;2-6H,1H3;2*2-4H,1H3;2*2-5H,1H3;2,4-5H,3H2,1H3;2*2-4H,1H3;2-4H,1H3;2-3H,1H3.
What are the key properties of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide?
1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide has a molecular weight of 4121.14 g/mol, XLogP of 57.31, 19 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;2-cyclopropyloxy-6-methylpyridine;N,3-dimethylbenzamide;tris(2,6-dimethylpyridine);N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;5-fluoro-2-methylpyridine;2-(2-fluoropropan-2-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;2-methylcyclopenta-1,3-diene;2-methyl-6-(3-methyloxetan-3-yl)pyridine;1-(3-methylphenyl)ethanone;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)propan-2-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;toluene;N,N,6-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 158197722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).