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

C127H126Cl5N13O8S6 — CID 159634883

IUPAC3-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
SMILESCOc1ccc(C)s1.COc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1ccc2sc(C)cc2n1.COc1cnc2cc(C)sc2c1.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1
InChIInChI=1S/C12H12O.C10H11NO.C10H11N.2C10H10OS.2C9H8ClN.3C9H9NOS.3C8H7ClN2.C6H8OS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-8(12-6)3-4-9(10-7)11-2;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-5-3-4-6(7-2)8-5/h3-8H,1-2H3;3-6,11H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*2-5,11H,1H3;3*3-5H,1-2H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);3-4H,1-2H3
InChIKeyMPPMRDXSVAOZJF-UHFFFAOYSA-N
MW2332.15 g/mol
LogP38.60
Rot. Bonds8

About 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

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 (PubChem CID 159634883) has the molecular formula C127H126Cl5N13O8S6 and a molecular weight of 2332.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159634883
Molecular FormulaC127H126Cl5N13O8S6
Molecular Weight2332.15 g/mol
Exact Mass2327.66
IUPAC Name3-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
SMILESCOc1ccc(C)s1.COc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1ccc2sc(C)cc2n1.COc1cnc2cc(C)sc2c1.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1
InChIInChI=1S/C12H12O.C10H11NO.C10H11N.2C10H10OS.2C9H8ClN.3C9H9NOS.3C8H7ClN2.C6H8OS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-8(12-6)3-4-9(10-7)11-2;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-5-3-4-6(7-2)8-5/h3-8H,1-2H3;3-6,11H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*2-5,11H,1H3;3*3-5H,1-2H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);3-4H,1-2H3
InChIKeyMPPMRDXSVAOZJF-UHFFFAOYSA-N
XLogP38.60
TPSA261.71 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002332.15
LogP ≤ 538.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

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
6-chloro-2-methyl-1H-benzimidazole;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-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;7-methoxy-3-methylquinoline;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 158064141
5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;2-chloro-7-methylnaphthalene;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-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;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;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
CID 158209545
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
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
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 159965385
6-chloro-2-methyl-1H-benzimidazole;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-1,3-benzothiazole;6-methoxy-2-methylthieno[2,3-b]pyridine
CID 160093482
5-chloro-2-methyl-1-benzothiophene;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;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;2-methoxy-5-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
CID 160296613

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C)s1.COc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1ccc2sc(C)cc2n1.COc1cnc2cc(C)sc2c1.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.
What is the InChIKey of 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?
The InChIKey is MPPMRDXSVAOZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C10H11NO.C10H11N.2C10H10OS.2C9H8ClN.3C9H9NOS.3C8H7ClN2.C6H8OS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-8(12-6)3-4-9(10-7)11-2;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-5-3-4-6(7-2)8-5/h3-8H,1-2H3;3-6,11H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*2-5,11H,1H3;3*3-5H,1-2H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);3-4H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2332.15 g/mol, XLogP of 38.60, 8 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159634883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).