3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine

C167H170Cl2F6N28S4 — CID 157461234

About 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine

3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine (PubChem CID 157461234) has the molecular formula C167H170Cl2F6N28S4 and a molecular weight of 2882.55 g/mol. Its IUPAC name is 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine.

Molecular Properties

• Compound Name: 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine
• PubChem CID: 157461234
• Molecular Formula: C167H170Cl2F6N28S4
• Molecular Weight: 2882.55 g/mol
• Exact Mass: 2879.23
• IUPAC Name: 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine
• SMILES: Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(Cl)nn1.Cc1ccc(F)cn1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(F)ccc2c1.Cc1ccc2nc(N)ccc2c1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1
• InChI: InChI=1S/C11H11N.C10H8FN.2C10H11N3.3C10H10N2.2C10H11N.C10H10S.C9H8FN.C9H7FS.C8H6FNS.C7H9N.C6H6FN.C6H8N2.C6H8S.2C5H5ClN2.C5H5FN2/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;1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;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;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)7-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4;1-4-7-2-5(6)3-8-4/h3-7H,1-2H3;2-6H,1H3;2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;2*3-6,11H,1-2H3;3-6H,1-2H3;2-5,11H,1H3;2-5H,1H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;3-4H,1-2H3;3*2-3H,1H3
• InChIKey: BTYGETUSAZIAIO-UHFFFAOYSA-N
• XLogP: 43.61
• TPSA: 461.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2882.55
LogP ≤ 5	43.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine?

The IUPAC name of 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine (CID 157461234) is 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine.

What is the SMILES notation for 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine?

The canonical SMILES for 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine is Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(Cl)nn1.Cc1ccc(F)cn1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(F)ccc2c1.Cc1ccc2nc(N)ccc2c1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.

What is the InChIKey of 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine?

The InChIKey is BTYGETUSAZIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C10H8FN.2C10H11N3.3C10H10N2.2C10H11N.C10H10S.C9H8FN.C9H7FS.C8H6FNS.C7H9N.C6H6FN.C6H8N2.C6H8S.2C5H5ClN2.C5H5FN2/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;1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;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;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)7-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4;1-4-7-2-5(6)3-8-4/h3-7H,1-2H3;2-6H,1H3;2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;2*3-6,11H,1-2H3;3-6H,1-2H3;2-5,11H,1H3;2-5H,1H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;3-4H,1-2H3;3*2-3H,1H3.

What are the key properties of 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine?

3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine has a molecular weight of 2882.55 g/mol, XLogP of 43.61, 0 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine is sourced from PubChem (CID 157461234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).