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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine

C177H172Cl8F7N23O11S2 — CID 159244040

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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine

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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine (PubChem CID 159244040) has the molecular formula C177H172Cl8F7N23O11S2 and a molecular weight of 3278.22 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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine.

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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine
• PubChem CID: 159244040
• Molecular Formula: C177H172Cl8F7N23O11S2
• Molecular Weight: 3278.22 g/mol
• Exact Mass: 3272.04
• 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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine
• SMILES: COC(=O)c1ccc(C)nc1.COc1ccc2oc(C)cc2c1.COc1cccc(C)n1.Cc1cc2cc(Cl)c(F)cc2o1.Cc1cc2cc(Cl)ccc2o1.Cc1cc2ccncc2o1.Cc1cc[nH]c(=O)c1.Cc1ccc(=O)[nH]c1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc2cc(Cl)ccc2n1.Cc1ccc2ccc(Cl)cc2n1.Cc1ccc2cccnc2c1.Cc1cccc(=O)[nH]1.Cc1cccc(C(F)(F)F)n1.Cc1cccc(C)n1.Cc1ccnc(C)c1.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.C8H9NO2.C8H7NO.C7H6F3N.C7H6N2.C7H9NO.4C7H9N.C6H6ClN.C6H6F2N2.3C6H7NO/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;1-6-3-4-7(5-9-6)8(10)11-2;1-6-4-7-2-3-9-5-8(7)10-6;1-5-3-2-4-6(11-5)7(8,9)10;1-6-3-4-7(8-2)5-9-6;1-6-4-3-5-7(8-6)9-2;1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-2-3-6(7)4-8-5;1-4-2-10-5(3-9-4)6(7)8;1-5-2-3-7-6(8)4-5;1-5-2-3-6(8)7-4-5;1-5-3-2-4-6(8)7-5/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;3-5H,1-2H3;2-5H,1H3;2-4H,1H3;3-5H,1H3;3-5H,1-2H3;4*3-5H,1-2H3;2-4H,1H3;2-3,6H,1H3;3*2-4H,1H3,(H,7,8)
• InChIKey: KULKHKPECORDCL-UHFFFAOYSA-N
• XLogP: 49.47
• TPSA: 448.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 4
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3278.22
LogP ≤ 5	49.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine?

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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine (CID 159244040) 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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine.

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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine?

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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine is COC(=O)c1ccc(C)nc1.COc1ccc2oc(C)cc2c1.COc1cccc(C)n1.Cc1cc2cc(Cl)c(F)cc2o1.Cc1cc2cc(Cl)ccc2o1.Cc1cc2ccncc2o1.Cc1cc[nH]c(=O)c1.Cc1ccc(=O)[nH]c1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc2cc(Cl)ccc2n1.Cc1ccc2ccc(Cl)cc2n1.Cc1ccc2cccnc2c1.Cc1cccc(=O)[nH]1.Cc1cccc(C(F)(F)F)n1.Cc1cccc(C)n1.Cc1ccnc(C)c1.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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine?

The InChIKey is KULKHKPECORDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8ClN.C10H9N.C10H10O2.C9H6ClFO.C9H7ClO.C8H5ClFNS.C8H7ClN2.C8H6ClNS.C8H9NO2.C8H7NO.C7H6F3N.C7H6N2.C7H9NO.4C7H9N.C6H6ClN.C6H6F2N2.3C6H7NO/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;1-6-3-4-7(5-9-6)8(10)11-2;1-6-4-7-2-3-9-5-8(7)10-6;1-5-3-2-4-6(11-5)7(8,9)10;1-6-3-4-7(8-2)5-9-6;1-6-4-3-5-7(8-6)9-2;1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-2-3-6(7)4-8-5;1-4-2-10-5(3-9-4)6(7)8;1-5-2-3-7-6(8)4-5;1-5-2-3-6(8)7-4-5;1-5-3-2-4-6(8)7-5/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;3-5H,1-2H3;2-5H,1H3;2-4H,1H3;3-5H,1H3;3-5H,1-2H3;4*3-5H,1-2H3;2-4H,1H3;2-3,6H,1H3;3*2-4H,1H3,(H,7,8).

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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine?

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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 3278.22 g/mol, XLogP of 49.47, 4 rotatable bonds, 4 hydrogen bond donors, and 31 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;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;5-isocyano-2-methylpyridine;5-methoxy-2-methyl-1-benzofuran;2-methoxy-6-methylpyridine;2-methylfuro[2,3-c]pyridine;methyl 6-methylpyridine-3-carboxylate;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;6-methyl-1H-pyridin-2-one;7-methylquinoline;2-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 159244040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).