3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole

C164H139Cl19N20O3S8 — CID 158537840

About 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole

3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole (PubChem CID 158537840) has the molecular formula C164H139Cl19N20O3S8 and a molecular weight of 3368.20 g/mol. Its IUPAC name is 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole.

Molecular Properties

• Compound Name: 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole
• PubChem CID: 158537840
• Molecular Formula: C164H139Cl19N20O3S8
• Molecular Weight: 3368.20 g/mol
• Exact Mass: 3356.32
• IUPAC Name: 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole
• SMILES: Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ncc(Cl)cc2s1.Cc1cc2occ(Cl)c2cn1.Cc1cc2scc(Cl)c2cn1.Cc1ccc(Cl)nn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)csc2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2cc(Cl)cnc2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1sc(Cl)cc1Cl
• InChI: InChI=1S/2C10H8ClN.C10H11N.C10H10S.2C9H8ClN.C9H7ClO.C9H7ClS.3C8H7ClN2.2C8H6ClNO.3C8H6ClNS.2C7H6ClNS.C5H4Cl2S.C5H5ClN2/c1-7-2-3-8-5-9(11)6-12-10(8)4-7;1-7-2-3-8-5-10(11)12-6-9(8)4-7;2*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;2*1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-7-5-9(10)11-8(7)4-6;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;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-3-6-7(9)4-11-8(6)10-5;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-2-3-6-4-7(9)11-8(6)10-5;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)8-7-4/h2*2-6H,1H3;3-6,11H,1-2H3;3-6H,1-2H3;2*2-5,11H,1H3;2*2-5H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);5*2-4H,1H3;2*2-3,9H,1H3;2H,1H3;2-3H,1H3
• InChIKey: HODULHSLADAYCF-UHFFFAOYSA-N
• XLogP: 60.33
• TPSA: 320.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3368.20
LogP ≤ 5	60.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole?

The IUPAC name of 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole (CID 158537840) is 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole.

What is the SMILES notation for 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole?

The canonical SMILES for 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole is Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ncc(Cl)cc2s1.Cc1cc2occ(Cl)c2cn1.Cc1cc2scc(Cl)c2cn1.Cc1ccc(Cl)nn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)csc2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2cc(Cl)cnc2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1sc(Cl)cc1Cl.

What is the InChIKey of 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole?

The InChIKey is HODULHSLADAYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8ClN.C10H11N.C10H10S.2C9H8ClN.C9H7ClO.C9H7ClS.3C8H7ClN2.2C8H6ClNO.3C8H6ClNS.2C7H6ClNS.C5H4Cl2S.C5H5ClN2/c1-7-2-3-8-5-9(11)6-12-10(8)4-7;1-7-2-3-8-5-10(11)12-6-9(8)4-7;2*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;2*1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-7-5-9(10)11-8(7)4-6;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;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-3-6-7(9)4-11-8(6)10-5;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-2-3-6-4-7(9)11-8(6)10-5;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)8-7-4/h2*2-6H,1H3;3-6,11H,1-2H3;3-6H,1-2H3;2*2-5,11H,1H3;2*2-5H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);5*2-4H,1H3;2*2-3,9H,1H3;2H,1H3;2-3H,1H3.

What are the key properties of 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole?

3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole has a molecular weight of 3368.20 g/mol, XLogP of 60.33, 0 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-methyl-1-benzofuran;2-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;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-chloro-7-methylquinoline;2-chloro-6-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-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole is sourced from PubChem (CID 158537840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).