3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene

C276H269ClFN57O3S — CID 157266785

IUPAC3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene
SMILESCc1cc2ccccc2cn1.Cc1cc2cccnc2cn1.Cc1cc2cccnc2nn1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)n1.Cc1ccc2c(c1)CC=N2.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc2ccncc2c1.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2n1.Cc1ccc2nccn2c1.Cc1ccc2nccn2n1.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncnn2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.Cc1ccc2nnccc2c1.Cc1ccc2nncn2c1.Cc1ccc2nnnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cnc2ccccc2c1.Cc1cnc2ncccc2c1.Cc1cncc(Cl)c1.Cc1cncc(F)c1.Cc1cnccn1.Cc1cncnc1.Cc1ncc2ncccc2n1
InChIInChI=1S/C11H10.7C10H9N.6C9H8N2.C9H9N.2C8H7N3.C8H8N2.C8H7NO.C8H7NS.3C7H7N3.C7H9NO.C7H8.C6H6ClN.C6H6FN.C6H6N4.C6H8N2O.3C6H7N.3C5H6N2/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-2-3-9-8(6-7)4-5-10-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-5-8-3-2-4-10-9(8)6-11-7;1-7-5-8-3-2-4-10-9(8)11-6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-6-10-5-8-7(11-6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)11-10-6;1-7-2-3-8-9-4-5-10(8)6-7;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-9-8-5-10(7)4-6;1-6-2-3-7-8-5-9-10(7)4-6;1-6-2-3-7-8-4-5-10(7)9-6;1-6-3-4-7(9)8(2)5-6;1-7-5-3-2-4-6-7;2*1-5-2-6(7)4-8-3-5;1-5-2-3-6-7-8-9-10(6)4-5;1-5-3-4-6(9)8(2)7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-3-2-4-6-7-5/h2-8H,1H3;7*2-7H,1H3;6*2-6H,1H3;2-3,5-6H,4H2,1H3;2*2-5H,1H3;2-6H,1H3;5*2-5H,1H3;3-5H,1-2H3;2-6H,1H3;2*2-4H,1H3;2-4H,1H3;3-4H,1-2H3;3*2-5H,1H3;3*2-4H,1H3
InChIKeyAYBXVYSSHQEQQR-UHFFFAOYSA-N
MW4519.10 g/mol
LogP60.30
Rot. Bonds

About 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene

3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene (PubChem CID 157266785) has the molecular formula C276H269ClFN57O3S and a molecular weight of 4519.10 g/mol. Its IUPAC name is 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene.

Molecular Properties

Compound Name3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene
PubChem CID157266785
Molecular FormulaC276H269ClFN57O3S
Molecular Weight4519.10 g/mol
Exact Mass4515.20
IUPAC Name3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene
SMILESCc1cc2ccccc2cn1.Cc1cc2cccnc2cn1.Cc1cc2cccnc2nn1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)n1.Cc1ccc2c(c1)CC=N2.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc2ccncc2c1.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2n1.Cc1ccc2nccn2c1.Cc1ccc2nccn2n1.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncnn2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.Cc1ccc2nnccc2c1.Cc1ccc2nncn2c1.Cc1ccc2nnnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cnc2ccccc2c1.Cc1cnc2ncccc2c1.Cc1cncc(Cl)c1.Cc1cncc(F)c1.Cc1cnccn1.Cc1cncnc1.Cc1ncc2ncccc2n1
InChIInChI=1S/C11H10.7C10H9N.6C9H8N2.C9H9N.2C8H7N3.C8H8N2.C8H7NO.C8H7NS.3C7H7N3.C7H9NO.C7H8.C6H6ClN.C6H6FN.C6H6N4.C6H8N2O.3C6H7N.3C5H6N2/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-2-3-9-8(6-7)4-5-10-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-5-8-3-2-4-10-9(8)6-11-7;1-7-5-8-3-2-4-10-9(8)11-6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-6-10-5-8-7(11-6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)11-10-6;1-7-2-3-8-9-4-5-10(8)6-7;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-9-8-5-10(7)4-6;1-6-2-3-7-8-5-9-10(7)4-6;1-6-2-3-7-8-4-5-10(7)9-6;1-6-3-4-7(9)8(2)5-6;1-7-5-3-2-4-6-7;2*1-5-2-6(7)4-8-3-5;1-5-2-3-6-7-8-9-10(6)4-5;1-5-3-4-6(9)8(2)7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-3-2-4-6-7-5/h2-8H,1H3;7*2-7H,1H3;6*2-6H,1H3;2-3,5-6H,4H2,1H3;2*2-5H,1H3;2-6H,1H3;5*2-5H,1H3;3-5H,1-2H3;2-6H,1H3;2*2-4H,1H3;2-4H,1H3;3-4H,1-2H3;3*2-5H,1H3;3*2-4H,1H3
InChIKeyAYBXVYSSHQEQQR-UHFFFAOYSA-N
XLogP60.30
TPSA723.16 Ų
H-Bond Donors
H-Bond Acceptors61
Rotatable Bonds
Heavy Atoms339
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004519.10
LogP ≤ 560.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1061

Analyze 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene with MolForge

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Related Compounds

1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157674447
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;2-tert-butyl-3-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2-cyclopropylimidazo[1,2-b]pyridazine;2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylimidazo[1,2-a]pyrazine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 158333268
CID 158633368
CID 158633368
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine
CID 160965247
2-[3-Anthracen-9-yl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-[4-anthracen-9-yl-6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]-1,3-benzoxazole;2-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzothiazole;2-[3-(1,10-phenanthrolin-5-yl)-5-[3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-quinoxalin-5-ylpyrimidin-4-yl]-1,3-benzoxazole
CID 161951747
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;2-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]-3-phenylbenzimidazole-5-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 162122198
1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide
CID 157049985
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene?
The IUPAC name of 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene (CID 157266785) is 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene.
What is the SMILES notation for 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene?
The canonical SMILES for 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene is Cc1cc2ccccc2cn1.Cc1cc2cccnc2cn1.Cc1cc2cccnc2nn1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)n1.Cc1ccc2c(c1)CC=N2.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc2ccncc2c1.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2n1.Cc1ccc2nccn2c1.Cc1ccc2nccn2n1.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncnn2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.Cc1ccc2nnccc2c1.Cc1ccc2nncn2c1.Cc1ccc2nnnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cnc2ccccc2c1.Cc1cnc2ncccc2c1.Cc1cncc(Cl)c1.Cc1cncc(F)c1.Cc1cnccn1.Cc1cncnc1.Cc1ncc2ncccc2n1.
What is the InChIKey of 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene?
The InChIKey is AYBXVYSSHQEQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.7C10H9N.6C9H8N2.C9H9N.2C8H7N3.C8H8N2.C8H7NO.C8H7NS.3C7H7N3.C7H9NO.C7H8.C6H6ClN.C6H6FN.C6H6N4.C6H8N2O.3C6H7N.3C5H6N2/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-2-3-9-8(6-7)4-5-10-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-5-8-3-2-4-10-9(8)6-11-7;1-7-5-8-3-2-4-10-9(8)11-6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-6-10-5-8-7(11-6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)11-10-6;1-7-2-3-8-9-4-5-10(8)6-7;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-9-8-5-10(7)4-6;1-6-2-3-7-8-5-9-10(7)4-6;1-6-2-3-7-8-4-5-10(7)9-6;1-6-3-4-7(9)8(2)5-6;1-7-5-3-2-4-6-7;2*1-5-2-6(7)4-8-3-5;1-5-2-3-6-7-8-9-10(6)4-5;1-5-3-4-6(9)8(2)7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-3-2-4-6-7-5/h2-8H,1H3;7*2-7H,1H3;6*2-6H,1H3;2-3,5-6H,4H2,1H3;2*2-5H,1H3;2-6H,1H3;5*2-5H,1H3;3-5H,1-2H3;2-6H,1H3;2*2-4H,1H3;2-4H,1H3;3-4H,1-2H3;3*2-5H,1H3;3*2-4H,1H3.
What are the key properties of 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene?
3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene has a molecular weight of 4519.10 g/mol, XLogP of 60.30, 0 rotatable bonds, 0 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene is sourced from PubChem (CID 157266785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).