5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine

C185H155Cl18N19O4S10 — CID 158622341

About 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine

5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine (PubChem CID 158622341) has the molecular formula C185H155Cl18N19O4S10 and a molecular weight of 3667.23 g/mol. Its IUPAC name is 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine.

Molecular Properties

• Compound Name: 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
• PubChem CID: 158622341
• Molecular Formula: C185H155Cl18N19O4S10
• Molecular Weight: 3667.23 g/mol
• Exact Mass: 3655.41
• IUPAC Name: 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
• SMILES: Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2cc1C#N.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(Cl)nn1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1ncc(Cl)cn1.[H]/N=C(\N)c1cc2cc(Cl)ccc2cc1C
• InChI: InChI=1S/C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C11H9Cl.3C10H8ClN.C10H9NS.2C9H7ClS.3C8H6ClNS.C8H7NOS.2C7H6ClNS.2C5H5ClN2/c2*1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;2*1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-8-5-6-10(12-8)9-4-2-3-7-11-9;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;1-5-2-7-8(11-5)3-6(9)4-10-7;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;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4/h2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7H,1H3;3*2-6H,1H3;2-7H,1H3;2*2-5H,1H3;3*2-4H,1H3;2-5H,1H3;2*2-3,9H,1H3;2*2-3H,1H3
• InChIKey: HYDUOJQEIRGZNW-UHFFFAOYSA-N
• XLogP: 62.11
• TPSA: 376.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 6
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3667.23
LogP ≤ 5	62.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?

The IUPAC name of 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine (CID 158622341) is 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine.

What is the SMILES notation for 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?

The canonical SMILES for 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine is Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2cc1C#N.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1ccc(Cl)nn1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1ncc(Cl)cn1.[H]/N=C(\N)c1cc2cc(Cl)ccc2cc1C.

What is the InChIKey of 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?

The InChIKey is HYDUOJQEIRGZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C11H9Cl.3C10H8ClN.C10H9NS.2C9H7ClS.3C8H6ClNS.C8H7NOS.2C7H6ClNS.2C5H5ClN2/c2*1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;2*1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-8-5-6-10(12-8)9-4-2-3-7-11-9;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;1-5-2-7-8(11-5)3-6(9)4-10-7;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;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4/h2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7H,1H3;3*2-6H,1H3;2-7H,1H3;2*2-5H,1H3;3*2-4H,1H3;2-5H,1H3;2*2-3,9H,1H3;2*2-3H,1H3.

What are the key properties of 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?

5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine has a molecular weight of 3667.23 g/mol, XLogP of 62.11, 6 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-7-methylisoquinoline;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;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-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 158622341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).