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

C220H202Cl15N19O9S15 — CID 158209545

IUPAC5-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
SMILESC/C=C/c1ccc(Cl)s1.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)ccc2s1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2ccc(Cl)cc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1sc(Cl)cc1Cl
InChIInChI=1S/C12H12O.C11H9Cl.C10H8ClN.C10H11NO.C10H9NS.C10H11N.2C10H10OS.2C9H8ClN.2C9H7ClS.3C9H9NOS.3C8H7ClN2.3C8H6ClNS.C8H7NOS.C7H7ClS.C6H8OS.C5H4Cl2S/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-8-5-6-10(12-8)9-4-2-3-7-11-9;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;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;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;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-2-3-8(11-6)7-4-5-10-9-7;1-2-3-6-4-5-7(8)9-6;1-5-3-4-6(7-2)8-5;1-3-4(6)2-5(7)8-3/h3-8H,1-2H3;2-7H,1H3;2-6H,1H3;3-6,11H,1-2H3;2-7H,1H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*2-5,11H,1H3;2*2-5H,1H3;3*3-5H,1-2H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);3*2-4H,1H3;2-5H,1H3;2-5H,1H3;3-4H,1-2H3;2H,1H3/b;;;;;;;;;;;;;;;;;;;;;;3-2+;;
InChIKeyGBXCYHMJUKIRGE-XMHWGTLZSA-N
MW4268.96 g/mol
LogP75.73
Rot. Bonds11

About 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

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 (PubChem CID 158209545) has the molecular formula C220H202Cl15N19O9S15 and a molecular weight of 4268.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158209545
Molecular FormulaC220H202Cl15N19O9S15
Molecular Weight4268.96 g/mol
Exact Mass4257.71
IUPAC Name5-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
SMILESC/C=C/c1ccc(Cl)s1.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)ccc2s1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2ccc(Cl)cc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1sc(Cl)cc1Cl
InChIInChI=1S/C12H12O.C11H9Cl.C10H8ClN.C10H11NO.C10H9NS.C10H11N.2C10H10OS.2C9H8ClN.2C9H7ClS.3C9H9NOS.3C8H7ClN2.3C8H6ClNS.C8H7NOS.C7H7ClS.C6H8OS.C5H4Cl2S/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-8-5-6-10(12-8)9-4-2-3-7-11-9;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;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;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;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-2-3-8(11-6)7-4-5-10-9-7;1-2-3-6-4-5-7(8)9-6;1-5-3-4-6(7-2)8-5;1-3-4(6)2-5(7)8-3/h3-8H,1-2H3;2-7H,1H3;2-6H,1H3;3-6,11H,1-2H3;2-7H,1H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*2-5,11H,1H3;2*2-5H,1H3;3*3-5H,1-2H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);3*2-4H,1H3;2-5H,1H3;2-5H,1H3;3-4H,1-2H3;2H,1H3/b;;;;;;;;;;;;;;;;;;;;;;3-2+;;
InChIKeyGBXCYHMJUKIRGE-XMHWGTLZSA-N
XLogP75.73
TPSA352.19 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds11
Heavy Atoms278
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004268.96
LogP ≤ 575.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C/c1ccc(Cl)s1.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)ccc2s1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2ccc(Cl)cc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1sc(Cl)cc1Cl.
What is the InChIKey of 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?
The InChIKey is GBXCYHMJUKIRGE-XMHWGTLZSA-N. The full InChI is InChI=1S/C12H12O.C11H9Cl.C10H8ClN.C10H11NO.C10H9NS.C10H11N.2C10H10OS.2C9H8ClN.2C9H7ClS.3C9H9NOS.3C8H7ClN2.3C8H6ClNS.C8H7NOS.C7H7ClS.C6H8OS.C5H4Cl2S/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-8-5-6-10(12-8)9-4-2-3-7-11-9;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;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;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;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-2-3-8(11-6)7-4-5-10-9-7;1-2-3-6-4-5-7(8)9-6;1-5-3-4-6(7-2)8-5;1-3-4(6)2-5(7)8-3/h3-8H,1-2H3;2-7H,1H3;2-6H,1H3;3-6,11H,1-2H3;2-7H,1H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*2-5,11H,1H3;2*2-5H,1H3;3*3-5H,1-2H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);3*2-4H,1H3;2-5H,1H3;2-5H,1H3;3-4H,1-2H3;2H,1H3/b;;;;;;;;;;;;;;;;;;;;;;3-2+;;.
What are the key properties of 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?
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 has a molecular weight of 4268.96 g/mol, XLogP of 75.73, 11 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158209545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).