6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole

C99H87Cl13N8O4S7 — CID 161497788

About 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole

6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole (PubChem CID 161497788) has the molecular formula C99H87Cl13N8O4S7 and a molecular weight of 2138.19 g/mol. Its IUPAC name is 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole.

Molecular Properties

• Compound Name: 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole
• PubChem CID: 161497788
• Molecular Formula: C99H87Cl13N8O4S7
• Molecular Weight: 2138.19 g/mol
• Exact Mass: 2130.08
• IUPAC Name: 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole
• SMILES: COc1ccc(C)cc1Cl.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc(Cl)c(O)c1.Cc1ccc(Cl)s1.Cc1ccc(O)c(Cl)c1.Cc1ccc2[nH]ncc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.Cc1sc(Cl)cc1Cl.Cc1sc2cc(Cl)ccc2c1C
• InChI: InChI=1S/C10H9ClS.C9H7ClO.C8H7ClN2.4C8H6ClNS.C8H9ClO.C8H8N2.2C7H7ClO.C5H4Cl2S.C5H5ClS/c1-6-7(2)12-10-5-8(11)3-4-9(6)10;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;1-5-10-7-4-6(9)2-3-8(7)11-5;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;1-6-2-3-8-7(4-6)5-9-10-8;1-5-2-3-7(9)6(8)4-5;1-5-2-3-6(8)7(9)4-5;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)7-4/h3-5H,1-2H3;2-5H,1H3;2-4H,1H3,(H,10,11);4*2-4H,1H3;3-5H,1-2H3;2-5H,1H3,(H,9,10);2*2-4,9H,1H3;2H,1H3;2-3H,1H3
• InChIKey: WGLBSQGNOIAYDP-UHFFFAOYSA-N
• XLogP: 38.43
• TPSA: 171.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 1
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2138.19
LogP ≤ 5	38.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole?

The IUPAC name of 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole (CID 161497788) is 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole.

What is the SMILES notation for 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole?

The canonical SMILES for 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole is COc1ccc(C)cc1Cl.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc(Cl)c(O)c1.Cc1ccc(Cl)s1.Cc1ccc(O)c(Cl)c1.Cc1ccc2[nH]ncc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.Cc1sc(Cl)cc1Cl.Cc1sc2cc(Cl)ccc2c1C.

What is the InChIKey of 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole?

The InChIKey is WGLBSQGNOIAYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClS.C9H7ClO.C8H7ClN2.4C8H6ClNS.C8H9ClO.C8H8N2.2C7H7ClO.C5H4Cl2S.C5H5ClS/c1-6-7(2)12-10-5-8(11)3-4-9(6)10;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;1-5-10-7-4-6(9)2-3-8(7)11-5;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;1-6-2-3-8-7(4-6)5-9-10-8;1-5-2-3-7(9)6(8)4-5;1-5-2-3-6(8)7(9)4-5;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)7-4/h3-5H,1-2H3;2-5H,1H3;2-4H,1H3,(H,10,11);4*2-4H,1H3;3-5H,1-2H3;2-5H,1H3,(H,9,10);2*2-4,9H,1H3;2H,1H3;2-3H,1H3.

What are the key properties of 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole?

6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole has a molecular weight of 2138.19 g/mol, XLogP of 38.43, 1 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2,3-dimethyl-1-benzothiophene;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;2-chloro-4-methylphenol;2-chloro-5-methylphenol;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;5-methyl-1H-indazole is sourced from PubChem (CID 161497788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).