1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene

C147H163Cl4F17N8O6S — CID 163699633

IUPAC1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene
SMILESCC1CCCCC1.COc1ccc(C)cc1.COc1ccc(C)nc1.COc1cccc(C)c1.Cc1cc(Cl)ccn1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1ccc(OC(F)(F)F)cc1.Cc1ccc(OC(F)F)cc1.Cc1cccc(CC(F)F)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1.Cc1cccc(F)n1.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1.Cc1ccccn1.Cc1ccnc(C)c1.Cc1nccs1
InChIInChI=1S/C9H10F2.2C8H7F3O.C8H7F3.C8H8F2O.2C8H10O.2C7H7Cl.2C7H7F.C7H9NO.C7H9N.C7H14.C7H8.2C6H6ClN.2C6H6FN.C6H7N.C4H5NS/c1-7-3-2-4-8(5-7)6-9(10)11;1-6-2-4-7(5-3-6)12-8(9,10)11;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-2-4-7(5-3-6)8(9,10)11;1-6-2-4-7(5-3-6)11-8(9)10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)5-8-6;1-6-3-4-8-7(2)5-6;2*1-7-5-3-2-4-6-7;1-5-4-6(7)2-3-8-5;2*1-5-2-3-6(7)4-8-5;1-5-3-2-4-6(7)8-5;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4/h2-5,9H,6H2,1H3;2*2-5H,1H3;2-5H,1H3;2-5,8H,1H3;2*3-6H,1-2H3;4*2-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;7H,2-6H2,1H3;2-6H,1H3;4*2-4H,1H3;2-5H,1H3;2-3H,1H3
InChIKeyJZWKZQDAEXIUAN-UHFFFAOYSA-N
MW2634.82 g/mol
LogP45.44
Rot. Bonds9

About 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene

1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene (PubChem CID 163699633) has the molecular formula C147H163Cl4F17N8O6S and a molecular weight of 2634.82 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene.

Molecular Properties

Compound Name1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene
PubChem CID163699633
Molecular FormulaC147H163Cl4F17N8O6S
Molecular Weight2634.82 g/mol
Exact Mass2631.09
IUPAC Name1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene
SMILESCC1CCCCC1.COc1ccc(C)cc1.COc1ccc(C)nc1.COc1cccc(C)c1.Cc1cc(Cl)ccn1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1ccc(OC(F)(F)F)cc1.Cc1ccc(OC(F)F)cc1.Cc1cccc(CC(F)F)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1.Cc1cccc(F)n1.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1.Cc1ccccn1.Cc1ccnc(C)c1.Cc1nccs1
InChIInChI=1S/C9H10F2.2C8H7F3O.C8H7F3.C8H8F2O.2C8H10O.2C7H7Cl.2C7H7F.C7H9NO.C7H9N.C7H14.C7H8.2C6H6ClN.2C6H6FN.C6H7N.C4H5NS/c1-7-3-2-4-8(5-7)6-9(10)11;1-6-2-4-7(5-3-6)12-8(9,10)11;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-2-4-7(5-3-6)8(9,10)11;1-6-2-4-7(5-3-6)11-8(9)10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)5-8-6;1-6-3-4-8-7(2)5-6;2*1-7-5-3-2-4-6-7;1-5-4-6(7)2-3-8-5;2*1-5-2-3-6(7)4-8-5;1-5-3-2-4-6(7)8-5;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4/h2-5,9H,6H2,1H3;2*2-5H,1H3;2-5H,1H3;2-5,8H,1H3;2*3-6H,1-2H3;4*2-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;7H,2-6H2,1H3;2-6H,1H3;4*2-4H,1H3;2-5H,1H3;2-3H,1H3
InChIKeyJZWKZQDAEXIUAN-UHFFFAOYSA-N
XLogP45.44
TPSA158.50 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002634.82
LogP ≤ 545.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene with MolForge

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Related Compounds

1-chloro-2-(methoxymethyl)benzene;4-(1,1-difluoroethyl)-2-methoxypyridine;1-fluoro-2-(methoxymethyl)benzene;methoxycyclohexane;1-methoxyethylbenzene;2-[(1S)-1-methoxyethyl]pyridine;methoxymethylbenzene;methoxymethylcyclopentane;2-methoxy-3-methylpyridine;3-(methoxymethyl)pyridine;2-(methoxymethyl)-1,3-thiazole
CID 157164078
Tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-fluorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 157698660
4-[(4-Chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine
CID 158824564
1-Chloro-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-yloxycyclobutane;(1,1-difluoro-2-methylpropyl)cyclobutane;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;2-methoxypropane;1-methoxy-4-propan-2-ylbenzene;tris(1-methoxy-3-propan-2-yloxycyclobutane);1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-yloxycyclobutane;5-methyl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-yloxy-1,3-thiazole;2-methylpropylcyclobutane;propan-2-yloxycyclobutane;2-propan-2-yloxypyrazine;2-propan-2-yloxypyridine;propan-2-ylsulfanylcyclobutane
CID 158884266
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane
CID 159579590
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;N,N,2-trimethylpropan-2-amine
CID 160385864
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;N,N,2-trimethylpropan-2-amine
CID 160580041
Bis(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-tert-butyl-4-phenyl-1,3-thiazole;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 160654960
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;N,N,2-trimethylpropan-2-amine
CID 160991515
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;N-tert-butylcyclohexanamine;4-tert-butyl-1,2-dichlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane;N,N,2-trimethylpropan-2-amine
CID 161423556
1-Chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(difluoromethoxy)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;1,2-difluoro-4-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;2-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene
CID 163593405
4-Tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;3-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine;3-(4-tert-butyl-2-methylphenoxy)-5-fluoropyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole
CID 157987073

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene?
The IUPAC name of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene (CID 163699633) is 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene.
What is the SMILES notation for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene?
The canonical SMILES for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene is CC1CCCCC1.COc1ccc(C)cc1.COc1ccc(C)nc1.COc1cccc(C)c1.Cc1cc(Cl)ccn1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1ccc(OC(F)(F)F)cc1.Cc1ccc(OC(F)F)cc1.Cc1cccc(CC(F)F)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1.Cc1cccc(F)n1.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1.Cc1ccccn1.Cc1ccnc(C)c1.Cc1nccs1.
What is the InChIKey of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene?
The InChIKey is JZWKZQDAEXIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.2C8H7F3O.C8H7F3.C8H8F2O.2C8H10O.2C7H7Cl.2C7H7F.C7H9NO.C7H9N.C7H14.C7H8.2C6H6ClN.2C6H6FN.C6H7N.C4H5NS/c1-7-3-2-4-8(5-7)6-9(10)11;1-6-2-4-7(5-3-6)12-8(9,10)11;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-2-4-7(5-3-6)8(9,10)11;1-6-2-4-7(5-3-6)11-8(9)10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)5-8-6;1-6-3-4-8-7(2)5-6;2*1-7-5-3-2-4-6-7;1-5-4-6(7)2-3-8-5;2*1-5-2-3-6(7)4-8-5;1-5-3-2-4-6(7)8-5;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4/h2-5,9H,6H2,1H3;2*2-5H,1H3;2-5H,1H3;2-5,8H,1H3;2*3-6H,1-2H3;4*2-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;7H,2-6H2,1H3;2-6H,1H3;4*2-4H,1H3;2-5H,1H3;2-3H,1H3.
What are the key properties of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene?
1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene has a molecular weight of 2634.82 g/mol, XLogP of 45.44, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene is sourced from PubChem (CID 163699633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).