5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine

C154H131Cl14N13OS16 — CID 158512046

About 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine

5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine (PubChem CID 158512046) has the molecular formula C154H131Cl14N13OS16 and a molecular weight of 3189.25 g/mol. Its IUPAC name is 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine.

Molecular Properties

• Compound Name: 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine
• PubChem CID: 158512046
• Molecular Formula: C154H131Cl14N13OS16
• Molecular Weight: 3189.25 g/mol
• Exact Mass: 3179.18
• IUPAC Name: 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine
• SMILES: C/C=C/c1ccc(Cl)s1.Cc1cc(-c2ccc(Cl)s2)cs1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccncc2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc2cc(C)[nH]c2n1.Cc1ccc2cc(C)sc2n1.Cc1ccc2ccc(Cl)cc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.Cc1sc(Cl)cc1Cl.Cc1sc2ccc(Cl)cc2c1C
• InChI: InChI=1S/C11H9Cl.C10H9ClS.2C10H9NS.C9H7ClS2.2C9H7ClS.C9H10N2.C9H9NS.C8H7ClN2.5C8H6ClNS.C8H7NOS.C7H7ClS.C5H4Cl2S/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-6-7(2)12-10-4-3-8(11)5-9(6)10;1-8-2-3-10(12-8)9-4-6-11-7-5-9;1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-6-4-7(5-11-6)8-2-3-9(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;2*1-6-3-4-8-5-7(2)11-9(8)10-6;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;1-5-10-7-4-6(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;1-6-2-3-8(11-6)7-4-5-10-9-7;1-2-3-6-4-5-7(8)9-6;1-3-4(6)2-5(7)8-3/h2-7H,1H3;3-5H,1-2H3;2*2-7H,1H3;2-5H,1H3;2*2-5H,1H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2-4H,1H3,(H,10,11);5*2-4H,1H3;2-5H,1H3;2-5H,1H3;2H,1H3/b;;;;;;;;;;;;;;;;3-2+
• InChIKey: HLEJKMGUNPEWKB-PRBINKCCSA-N
• XLogP: 59.79
• TPSA: 186.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 5
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3189.25
LogP ≤ 5	59.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine?

The IUPAC name of 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine (CID 158512046) is 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine.

What is the SMILES notation for 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine?

The canonical SMILES for 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine is C/C=C/c1ccc(Cl)s1.Cc1cc(-c2ccc(Cl)s2)cs1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccncc2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc2cc(C)[nH]c2n1.Cc1ccc2cc(C)sc2n1.Cc1ccc2ccc(Cl)cc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.Cc1sc(Cl)cc1Cl.Cc1sc2ccc(Cl)cc2c1C.

What is the InChIKey of 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine?

The InChIKey is HLEJKMGUNPEWKB-PRBINKCCSA-N. The full InChI is InChI=1S/C11H9Cl.C10H9ClS.2C10H9NS.C9H7ClS2.2C9H7ClS.C9H10N2.C9H9NS.C8H7ClN2.5C8H6ClNS.C8H7NOS.C7H7ClS.C5H4Cl2S/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-6-7(2)12-10-4-3-8(11)5-9(6)10;1-8-2-3-10(12-8)9-4-6-11-7-5-9;1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-6-4-7(5-11-6)8-2-3-9(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;2*1-6-3-4-8-5-7(2)11-9(8)10-6;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;1-5-10-7-4-6(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;1-6-2-3-8(11-6)7-4-5-10-9-7;1-2-3-6-4-5-7(8)9-6;1-3-4(6)2-5(7)8-3/h2-7H,1H3;3-5H,1-2H3;2*2-7H,1H3;2-5H,1H3;2*2-5H,1H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2-4H,1H3,(H,10,11);5*2-4H,1H3;2-5H,1H3;2-5H,1H3;2H,1H3/b;;;;;;;;;;;;;;;;3-2+;.

What are the key properties of 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine?

5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine has a molecular weight of 3189.25 g/mol, XLogP of 59.79, 5 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-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-(5-methylthiophen-3-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;3,5-dichloro-2-methylthiophene;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 158512046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).