2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline

C86H79BrCl4N4OS4 — CID 157279969

About 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline

2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline (PubChem CID 157279969) has the molecular formula C86H79BrCl4N4OS4 and a molecular weight of 1534.59 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline.

Molecular Properties

• Compound Name: 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline
• PubChem CID: 157279969
• Molecular Formula: C86H79BrCl4N4OS4
• Molecular Weight: 1534.59 g/mol
• Exact Mass: 1530.31
• IUPAC Name: 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline
• SMILES: Cc1cc2cc(Cl)ccc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(C)nc1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1
• InChI: InChI=1S/C11H9Br.C11H9Cl.C11H11N.C10H11N.C10H10O.C9H7ClS2.C9H7ClS.C8H6ClNS.C7H9N/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-5-4-6-7(11-5)2-3-8(9)10-6;1-6-3-4-7(2)8-5-6/h2*2-7H,1H3;3-7H,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3;2-4H,1H3;3-5H,1-2H3
• InChIKey: AZNYLFVBSWWSEE-UHFFFAOYSA-N
• XLogP: 29.66
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1534.59
LogP ≤ 5	29.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline?

The IUPAC name of 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline (CID 157279969) is 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline.

What is the SMILES notation for 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline?

The canonical SMILES for 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline is Cc1cc2cc(Cl)ccc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(C)nc1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.

What is the InChIKey of 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline?

The InChIKey is AZNYLFVBSWWSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.C11H9Cl.C11H11N.C10H11N.C10H10O.C9H7ClS2.C9H7ClS.C8H6ClNS.C7H9N/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-5-4-6-7(11-5)2-3-8(9)10-6;1-6-3-4-7(2)8-5-6/h2*2-7H,1H3;3-7H,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3;2-4H,1H3;3-5H,1-2H3.

What are the key properties of 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline?

2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline has a molecular weight of 1534.59 g/mol, XLogP of 29.66, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline is sourced from PubChem (CID 157279969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).