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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran

C157H135BrCl17N9O3S8 — CID 157140753

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran (PubChem CID 157140753) has the molecular formula C157H135BrCl17N9O3S8 and a molecular weight of 3135.01 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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran.

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran
• PubChem CID: 157140753
• Molecular Formula: C157H135BrCl17N9O3S8
• Molecular Weight: 3135.01 g/mol
• Exact Mass: 3123.23
• 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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran
• SMILES: 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(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
• InChI: InChI=1S/C11H9Br.C11H9Cl.C10H10ClN.C10H9ClS.C10H10O.2C9H8ClN.C9H7ClO.2C9H7ClS.C8H7ClN2.4C8H6ClNS.C8H9ClO.C7H6Cl2.C5H5ClS/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;1-6-4-7-5-8(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;3*2-5H,1H3;2-4H,1H3,(H,10,11);4*2-4H,1H3;3-5H,1-2H3;2-4H,1H3;2-3H,1H3
• InChIKey: AKDSDYOVKUDXIC-UHFFFAOYSA-N
• XLogP: 59.98
• TPSA: 163.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 1
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3135.01
LogP ≤ 5	59.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran?

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran (CID 157140753) 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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran.

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran?

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran is 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(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.

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran?

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

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran?

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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran has a molecular weight of 3135.01 g/mol, XLogP of 59.98, 1 rotatable bonds, 4 hydrogen bond donors, and 16 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;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran is sourced from PubChem (CID 157140753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).