2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole

C124H113Cl11FN17S4 — CID 158502164

About 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole

2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole (PubChem CID 158502164) has the molecular formula C124H113Cl11FN17S4 and a molecular weight of 2378.64 g/mol. Its IUPAC name is 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole
• PubChem CID: 158502164
• Molecular Formula: C124H113Cl11FN17S4
• Molecular Weight: 2378.64 g/mol
• Exact Mass: 2371.48
• IUPAC Name: 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole
• SMILES: Cc1c[nH]c2cc(Cl)ccc12.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1ccc(Cl)nn1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2[nH]cc(C)c2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1ncc(Cl)cn1.Fc1c[nH]c2ccccc12
• InChI: InChI=1S/C10H8ClN.3C10H11N.3C9H8ClN.C9H7ClS.C8H7ClN2.C8H6ClNS.C8H6FN.2C7H6ClNS.2C5H5ClN2/c1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-7-3-4-10-9(5-7)8(2)6-11-10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7-5-9(10)11-8(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-3-6-4-7(9)11-8(6)10-5;9-7-5-10-8-4-2-1-3-6(7)8;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;3*3-6,11H,1-2H3;3*2-5,11H,1H3;2-5H,1H3;2-4,11H,1H3;2-4H,1H3;1-5,10H;2*2-3,9H,1H3;2*2-3H,1H3
• InChIKey: HKAGCYNNMBKILC-UHFFFAOYSA-N
• XLogP: 42.15
• TPSA: 248.13 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 11
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.64
LogP ≤ 5	42.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole?

The IUPAC name of 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole (CID 158502164) is 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole.

What is the SMILES notation for 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole?

The canonical SMILES for 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole is Cc1c[nH]c2cc(Cl)ccc12.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1ccc(Cl)nn1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2[nH]cc(C)c2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1ncc(Cl)cn1.Fc1c[nH]c2ccccc12.

What is the InChIKey of 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole?

The InChIKey is HKAGCYNNMBKILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN.3C10H11N.3C9H8ClN.C9H7ClS.C8H7ClN2.C8H6ClNS.C8H6FN.2C7H6ClNS.2C5H5ClN2/c1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-7-3-4-10-9(5-7)8(2)6-11-10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7-5-9(10)11-8(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-3-6-4-7(9)11-8(6)10-5;9-7-5-10-8-4-2-1-3-6(7)8;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;3*3-6,11H,1-2H3;3*2-5,11H,1H3;2-5H,1H3;2-4,11H,1H3;2-4H,1H3;1-5,10H;2*2-3,9H,1H3;2*2-3H,1H3.

What are the key properties of 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole?

2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole has a molecular weight of 2378.64 g/mol, XLogP of 42.15, 0 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-1-benzothiophene;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,5-dimethyl-1H-indole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;3-fluoro-1H-indole is sourced from PubChem (CID 158502164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).