5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline

C116H100Cl8F4N14O5S2 — CID 159492157

About 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline

5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline (PubChem CID 159492157) has the molecular formula C116H100Cl8F4N14O5S2 and a molecular weight of 2193.92 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline.

Molecular Properties

• Compound Name: 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline
• PubChem CID: 159492157
• Molecular Formula: C116H100Cl8F4N14O5S2
• Molecular Weight: 2193.92 g/mol
• Exact Mass: 2188.49
• IUPAC Name: 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline
• SMILES: COc1ccc2oc(C)cc2c1.Cc1cc2cc(Cl)c(F)cc2o1.Cc1cc2cc(Cl)ccc2o1.Cc1cc2ccncc2o1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc2cc(Cl)ccc2n1.Cc1ccc2ccc(Cl)cc2n1.Cc1ccc2cccnc2c1.Cc1cnc(C(F)F)cn1.Cc1nc2cc(Cl)c(F)cc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.[C-]#[N+]c1ccc(C)nc1
• InChI: InChI=1S/2C10H8ClN.C10H9N.C10H10O2.C9H6ClFO.C9H7ClO.C8H5ClFNS.C8H7ClN2.C8H6ClNS.C8H7NO.C7H6N2.C7H9N.C6H6ClN.C6H6F2N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-7-2-3-8-4-5-9(11)6-10(8)12-7;1-8-4-5-9-3-2-6-11-10(9)7-8;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-5-2-6-3-7(10)8(11)4-9(6)12-5;1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-11-7-2-5(9)6(10)3-8(7)12-4;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;1-6-4-7-2-3-9-5-8(7)10-6;1-6-3-4-7(8-2)5-9-6;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5;1-4-2-10-5(3-9-4)6(7)8/h2*2-6H,1H3;2-7H,1H3;3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2-3H,1H3;2-4H,1H3,(H,10,11);2-4H,1H3;2-5H,1H3;3-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3,6H,1H3
• InChIKey: LYIDLIGLUGYNRV-UHFFFAOYSA-N
• XLogP: 37.34
• TPSA: 236.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 2
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.92
LogP ≤ 5	37.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline?

The IUPAC name of 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline (CID 159492157) is 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline.

What is the SMILES notation for 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline?

The canonical SMILES for 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline is COc1ccc2oc(C)cc2c1.Cc1cc2cc(Cl)c(F)cc2o1.Cc1cc2cc(Cl)ccc2o1.Cc1cc2ccncc2o1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc2cc(Cl)ccc2n1.Cc1ccc2ccc(Cl)cc2n1.Cc1ccc2cccnc2c1.Cc1cnc(C(F)F)cn1.Cc1nc2cc(Cl)c(F)cc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.[C-]#[N+]c1ccc(C)nc1.

What is the InChIKey of 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline?

The InChIKey is LYIDLIGLUGYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8ClN.C10H9N.C10H10O2.C9H6ClFO.C9H7ClO.C8H5ClFNS.C8H7ClN2.C8H6ClNS.C8H7NO.C7H6N2.C7H9N.C6H6ClN.C6H6F2N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-7-2-3-8-4-5-9(11)6-10(8)12-7;1-8-4-5-9-3-2-6-11-10(9)7-8;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-5-2-6-3-7(10)8(11)4-9(6)12-5;1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-11-7-2-5(9)6(10)3-8(7)12-4;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-7-4-6(9)2-3-8(7)11-5;1-6-4-7-2-3-9-5-8(7)10-6;1-6-3-4-7(8-2)5-9-6;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5;1-4-2-10-5(3-9-4)6(7)8/h2*2-6H,1H3;2-7H,1H3;3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2-3H,1H3;2-4H,1H3,(H,10,11);2-4H,1H3;2-5H,1H3;3-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3,6H,1H3.

What are the key properties of 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline?

5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline has a molecular weight of 2193.92 g/mol, XLogP of 37.34, 2 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-2-methylquinoline;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,5-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methylfuro[2,3-c]pyridine;7-methylquinoline is sourced from PubChem (CID 159492157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).