1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene

C225H250Cl4F7N25O4S5 — CID 159527372

IUPAC1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene
SMILESCCc1ccc(C)cc1.COc1ccc(C)cc1.COc1ccc(C)nc1.COc1cccc(C)c1.COc1cnc(C)nc1.CSc1ccc(C)cc1.Cc1ccc(C#N)cc1.Cc1ccc(C#N)cn1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1ccc(F)s1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc(C#N)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(Cl)s1.Cc1ncc(F)cn1.Cc1ncccn1
InChIInChI=1S/C10H11N.C9H8FN.C9H9N.C9H12.C8H9F.C8H8N2S.2C8H7N.2C8H10O.C8H10S.2C8H10.2C7H7Cl.2C7H7F.C7H6N2.C7H9NO.C7H9N.C7H8.C6H6FN.C6H8N2O.C6H8N2.2C6H7N.C6H8S.C5H5ClN2.C5H5FN2.C5H5FS.C5H6N2.C4H4ClNS/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-7-2-3-8-4-5-10-9(8)6-7;1-3-9-6-4-8(2)5-7-9;1-6-3-4-7(2)8(9)5-6;1-5-2-3-7-6(4-5)8(9)10-11-7;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;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;1-6-2-3-7(4-8)5-9-6;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-8-5;1-5-7-3-6(9-2)4-8-5;1-5-3-7-6(2)8-4-5;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;2*1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)7-4;1-5-6-3-2-4-7-5;1-3-6-2-4(5)7-3/h3-6,11H,1-2H3;2-5,11H,1H3;2-6,10H,1H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2-4H,1H3,(H2,9,10);2*2-5H,1H3;3*3-6H,1-2H3;2*3-6H,1-2H3;4*2-5H,1H3;2-3,5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-6H,1H3;2-4H,1H3;3-4H,1-2H3;3-4H,1-2H3;2*2-5H,1H3;3-4H,1-2H3;2*2-3H,1H3;2-3H,1H3;2-4H,1H3;2H,1H3
InChIKeyMCOBBFWDNIVWLR-UHFFFAOYSA-N
MW3803.78 g/mol
LogP62.06
Rot. Bonds6

About 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene

1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene (PubChem CID 159527372) has the molecular formula C225H250Cl4F7N25O4S5 and a molecular weight of 3803.78 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene
PubChem CID159527372
Molecular FormulaC225H250Cl4F7N25O4S5
Molecular Weight3803.78 g/mol
Exact Mass3798.74
IUPAC Name1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene
SMILESCCc1ccc(C)cc1.COc1ccc(C)cc1.COc1ccc(C)nc1.COc1cccc(C)c1.COc1cnc(C)nc1.CSc1ccc(C)cc1.Cc1ccc(C#N)cc1.Cc1ccc(C#N)cn1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1ccc(F)s1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc(C#N)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(Cl)s1.Cc1ncc(F)cn1.Cc1ncccn1
InChIInChI=1S/C10H11N.C9H8FN.C9H9N.C9H12.C8H9F.C8H8N2S.2C8H7N.2C8H10O.C8H10S.2C8H10.2C7H7Cl.2C7H7F.C7H6N2.C7H9NO.C7H9N.C7H8.C6H6FN.C6H8N2O.C6H8N2.2C6H7N.C6H8S.C5H5ClN2.C5H5FN2.C5H5FS.C5H6N2.C4H4ClNS/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-7-2-3-8-4-5-10-9(8)6-7;1-3-9-6-4-8(2)5-7-9;1-6-3-4-7(2)8(9)5-6;1-5-2-3-7-6(4-5)8(9)10-11-7;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;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;1-6-2-3-7(4-8)5-9-6;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-8-5;1-5-7-3-6(9-2)4-8-5;1-5-3-7-6(2)8-4-5;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;2*1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)7-4;1-5-6-3-2-4-7-5;1-3-6-2-4(5)7-3/h3-6,11H,1-2H3;2-5,11H,1H3;2-6,10H,1H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2-4H,1H3,(H2,9,10);2*2-5H,1H3;3*3-6H,1-2H3;2*3-6H,1-2H3;4*2-5H,1H3;2-3,5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-6H,1H3;2-4H,1H3;3-4H,1-2H3;3-4H,1-2H3;2*2-5H,1H3;3-4H,1-2H3;2*2-3H,1H3;2-3H,1H3;2-4H,1H3;2H,1H3
InChIKeyMCOBBFWDNIVWLR-UHFFFAOYSA-N
XLogP62.06
TPSA413.70 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds6
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003803.78
LogP ≤ 562.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene with MolForge

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Launch Full Analysis

Related Compounds

CID 159081061
CID 159081061
CID 161002396
CID 161002396
3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;7-chloro-3-methylquinoline;2,6-dimethyl-1H-indole;3,5-dimethyl-1H-indole;2,6-dimethylthieno[2,3-b]pyridine;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
CID 157444333
3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;7-chloro-3-methylquinoline;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
CID 157536065
3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;methane;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;2-methoxy-5-methylthiophene
CID 158558631
3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,6-dimethyl-1H-indole;2,6-dimethylnaphthalene;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;2-methoxy-5-methylthiophene
CID 158572632
3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;2-methoxy-5-methylthiophene
CID 158678867
bis(3-chloro-6-methyl-1H-indole);5-chloro-2-methyl-1H-indole;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;7-chloro-3-methylquinoline;3,6-dimethyl-1H-indole;methane;6-methoxy-2-methyl-3a,7a-dihydrothieno[2,3-b]pyridine;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;2-methoxy-5-methylthiophene
CID 159451195
3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,6-dimethyl-1H-indole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;2-methoxy-5-methylthiophene
CID 159634883
1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine
CID 159896510
3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;7-chloro-3-methylquinoline;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,6-dimethyl-1H-indole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine;2-methoxy-5-methylthiophene
CID 160877721
1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazolidine;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene
CID 160898454

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene?
The IUPAC name of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene (CID 159527372) is 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene is CCc1ccc(C)cc1.COc1ccc(C)cc1.COc1ccc(C)nc1.COc1cccc(C)c1.COc1cnc(C)nc1.CSc1ccc(C)cc1.Cc1ccc(C#N)cc1.Cc1ccc(C#N)cn1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1ccc(F)s1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc(C#N)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(Cl)s1.Cc1ncc(F)cn1.Cc1ncccn1.
What is the InChIKey of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene?
The InChIKey is MCOBBFWDNIVWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C9H8FN.C9H9N.C9H12.C8H9F.C8H8N2S.2C8H7N.2C8H10O.C8H10S.2C8H10.2C7H7Cl.2C7H7F.C7H6N2.C7H9NO.C7H9N.C7H8.C6H6FN.C6H8N2O.C6H8N2.2C6H7N.C6H8S.C5H5ClN2.C5H5FN2.C5H5FS.C5H6N2.C4H4ClNS/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-7-2-3-8-4-5-10-9(8)6-7;1-3-9-6-4-8(2)5-7-9;1-6-3-4-7(2)8(9)5-6;1-5-2-3-7-6(4-5)8(9)10-11-7;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;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;1-6-2-3-7(4-8)5-9-6;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-8-5;1-5-7-3-6(9-2)4-8-5;1-5-3-7-6(2)8-4-5;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;2*1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)7-4;1-5-6-3-2-4-7-5;1-3-6-2-4(5)7-3/h3-6,11H,1-2H3;2-5,11H,1H3;2-6,10H,1H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2-4H,1H3,(H2,9,10);2*2-5H,1H3;3*3-6H,1-2H3;2*3-6H,1-2H3;4*2-5H,1H3;2-3,5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-6H,1H3;2-4H,1H3;3-4H,1-2H3;3-4H,1-2H3;2*2-5H,1H3;3-4H,1-2H3;2*2-3H,1H3;2-3H,1H3;2-4H,1H3;2H,1H3.
What are the key properties of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene?
1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene has a molecular weight of 3803.78 g/mol, XLogP of 62.06, 6 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-1,3-thiazole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-ethyl-4-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-5-methylthiophene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;3-methylbenzonitrile;4-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1H-indole;1-methyl-4-methylsulfanylbenzene;2-methylpyridine;3-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;toluene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159527372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).