2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen

C₁₆₇H₁₅₄BrCl₁₈N₉O₃S₁₀ — CID 158847328

About 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen

2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen (PubChem CID 158847328) has the molecular formula C₁₆₇H₁₅₄BrCl₁₈N₉O₃S₁₀ and a molecular weight of 3373.86 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen.

Molecular Properties

• Compound Name: 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen
• PubChem CID: 158847328
• Molecular Formula: C₁₆₇H₁₅₄BrCl₁₈N₉O₃S₁₀
• Molecular Weight: 3373.86 g/mol
• Exact Mass: 3361.30
• IUPAC Name: 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen
• SMILES: C.COc1ccc(C)cc1Cl.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)s1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.Cc1sc2cc(Cl)ccc2c1C.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C11H9Br.C11H9Cl.C10H10ClN.C10H9ClS.C10H10O.2C9H8ClN.C9H7ClO.C9H7ClS2.2C9H7ClS.C8H7ClN2.4C8H6ClNS.C8H9ClO.C7H6Cl2.C5H5ClS.CH4.4H2/c2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;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;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-10-7-3-2-6(9)4-8(7)11-5;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;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5;1-4-2-3-5(6)7-4;;;;;/h2*2-7H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;2-4H,1H3,(H,10,11);4*2-4H,1H3;3-5H,1-2H3;2-4H,1H3;2-3H,1H3;1H4;4*1H
• InChIKey: IYZOYSWUSAKWQY-UHFFFAOYSA-N
• XLogP: 66.04
• TPSA: 163.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 2
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3373.86
LogP ≤ 5	66.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen?

The IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen (CID 158847328) is 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen.

What is the SMILES notation for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen?

The canonical SMILES for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen is C.COc1ccc(C)cc1Cl.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)s1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.Cc1sc2cc(Cl)ccc2c1C.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen?

The InChIKey is IYZOYSWUSAKWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.C11H9Cl.C10H10ClN.C10H9ClS.C10H10O.2C9H8ClN.C9H7ClO.C9H7ClS2.2C9H7ClS.C8H7ClN2.4C8H6ClNS.C8H9ClO.C7H6Cl2.C5H5ClS.CH4.4H2/c2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;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;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-10-7-3-2-6(9)4-8(7)11-5;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;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5;1-4-2-3-5(6)7-4;;;;;/h2*2-7H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;2-4H,1H3,(H,10,11);4*2-4H,1H3;3-5H,1-2H3;2-4H,1H3;2-3H,1H3;1H4;4*1H.

What are the key properties of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen?

2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen has a molecular weight of 3373.86 g/mol, XLogP of 66.04, 2 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;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-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;methane;molecular hydrogen is sourced from PubChem (CID 158847328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158847328 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.