5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine

C177H151Cl18N23OS9 — CID 158102622

IUPAC5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
SMILESCc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(Cl)nn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1ncc(Cl)cn1
InChIInChI=1S/C11H9Cl.3C10H8ClN.C10H9NS.C10H11N.2C9H8ClN.2C9H7ClS.3C8H7ClN2.3C8H6ClNS.C8H7NOS.2C7H6ClNS.2C5H5ClN2/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-2-3-8-5-10(11)12-6-9(8)4-7;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;1-6-4-7-5-8(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;1-5-2-8-6(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;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4/h2-7H,1H3;3*2-6H,1H3;2-7H,1H3;3-6,11H,1-2H3;2*2-5,11H,1H3;2*2-5H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);3*2-4H,1H3;2-5H,1H3;2*2-3,9H,1H3;2*2-3H,1H3
InChIKeyFPLHNPGRTOGNCK-UHFFFAOYSA-N
MW3543.07 g/mol
LogP62.60
Rot. Bonds2

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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine (PubChem CID 158102622) has the molecular formula C177H151Cl18N23OS9 and a molecular weight of 3543.07 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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
PubChem CID158102622
Molecular FormulaC177H151Cl18N23OS9
Molecular Weight3543.07 g/mol
Exact Mass3531.44
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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
SMILESCc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(Cl)nn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1ncc(Cl)cn1
InChIInChI=1S/C11H9Cl.3C10H8ClN.C10H9NS.C10H11N.2C9H8ClN.2C9H7ClS.3C8H7ClN2.3C8H6ClNS.C8H7NOS.2C7H6ClNS.2C5H5ClN2/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-2-3-8-5-10(11)12-6-9(8)4-7;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;1-6-4-7-5-8(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;1-5-2-8-6(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;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4/h2-7H,1H3;3*2-6H,1H3;2-7H,1H3;3-6,11H,1-2H3;2*2-5,11H,1H3;2*2-5H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);3*2-4H,1H3;2-5H,1H3;2*2-3,9H,1H3;2*2-3H,1H3
InChIKeyFPLHNPGRTOGNCK-UHFFFAOYSA-N
XLogP62.60
TPSA332.81 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds2
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003543.07
LogP ≤ 562.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine (CID 158102622) 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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine is Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(Cl)nn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1ncc(Cl)cn1.
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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?
The InChIKey is FPLHNPGRTOGNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl.3C10H8ClN.C10H9NS.C10H11N.2C9H8ClN.2C9H7ClS.3C8H7ClN2.3C8H6ClNS.C8H7NOS.2C7H6ClNS.2C5H5ClN2/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-2-3-8-5-10(11)12-6-9(8)4-7;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;1-6-4-7-5-8(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;1-5-2-8-6(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;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4/h2-7H,1H3;3*2-6H,1H3;2-7H,1H3;3-6,11H,1-2H3;2*2-5,11H,1H3;2*2-5H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);3*2-4H,1H3;2-5H,1H3;2*2-3,9H,1H3;2*2-3H,1H3.
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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine has a molecular weight of 3543.07 g/mol, XLogP of 62.60, 2 rotatable bonds, 8 hydrogen bond donors, and 25 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;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;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;2-chloro-6-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3,6-dimethyl-1H-indole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 158102622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).