5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine

C82H77ClF4N8S3 — CID 157099322

About 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine

5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine (PubChem CID 157099322) has the molecular formula C82H77ClF4N8S3 and a molecular weight of 1382.22 g/mol. Its IUPAC name is 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine
• PubChem CID: 157099322
• Molecular Formula: C82H77ClF4N8S3
• Molecular Weight: 1382.22 g/mol
• Exact Mass: 1380.51
• IUPAC Name: 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine
• SMILES: Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(F)ccc2c1.Cc1ncc(Cl)cn1
• InChI: InChI=1S/C11H11N.C10H8FN.2C10H11N.C10H10S.C9H8FN.C9H7FS.C8H6FNS.C5H5ClN2/c1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-2-4-9-8(6-7)3-5-10(11)12-9;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;1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-4-7-2-5(6)3-8-4/h3-7H,1-2H3;2-6H,1H3;2*3-6,11H,1-2H3;3-6H,1-2H3;2-5,11H,1H3;2-5H,1H3;2-4H,1H3;2-3H,1H3
• InChIKey: AFOUQOYEHDJPTP-UHFFFAOYSA-N
• XLogP: 24.77
• TPSA: 111.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1382.22
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine?

The IUPAC name of 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine (CID 157099322) is 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine.

What is the SMILES notation for 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine?

The canonical SMILES for 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine is Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(F)ccc2c1.Cc1ncc(Cl)cn1.

What is the InChIKey of 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine?

The InChIKey is AFOUQOYEHDJPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C10H8FN.2C10H11N.C10H10S.C9H8FN.C9H7FS.C8H6FNS.C5H5ClN2/c1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-2-4-9-8(6-7)3-5-10(11)12-9;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;1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-4-7-2-5(6)3-8-4/h3-7H,1-2H3;2-6H,1H3;2*3-6,11H,1-2H3;3-6H,1-2H3;2-5,11H,1H3;2-5H,1H3;2-4H,1H3;2-3H,1H3.

What are the key properties of 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine?

5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine has a molecular weight of 1382.22 g/mol, XLogP of 24.77, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine is sourced from PubChem (CID 157099322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).