2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile

C64H64Cl2F16N10O2 — CID 160697247

About 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile

2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile (PubChem CID 160697247) has the molecular formula C64H64Cl2F16N10O2 and a molecular weight of 1380.16 g/mol. Its IUPAC name is 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile
• PubChem CID: 160697247
• Molecular Formula: C64H64Cl2F16N10O2
• Molecular Weight: 1380.16 g/mol
• Exact Mass: 1378.43
• IUPAC Name: 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile
• SMILES: COc1cc(C)c(C)c(OC)n1.Cc1cc(C(F)(F)F)nc(C(F)(F)F)c1C.Cc1cc(Cl)nc(Cl)c1C.Cc1cc(F)nc(F)c1C.Cc1cc(F)nc(F)c1C.Cc1ccnc(C(F)(F)F)c1C.Cc1cnc(C(F)(F)F)cc1C.[C-]#[N+]c1nc(C#N)cc(C)c1C
• InChI: InChI=1S/C9H7F6N.C9H7N3.C9H13NO2.2C8H8F3N.C7H7Cl2N.2C7H7F2N/c1-4-3-6(8(10,11)12)16-7(5(4)2)9(13,14)15;1-6-4-8(5-10)12-9(11-3)7(6)2;1-6-5-8(11-3)10-9(12-4)7(6)2;1-5-3-7(8(9,10)11)12-4-6(5)2;1-5-3-4-12-7(6(5)2)8(9,10)11;3*1-4-3-6(8)10-7(9)5(4)2/h3H,1-2H3;4H,1-2H3;5H,1-4H3;2*3-4H,1-2H3;3*3H,1-2H3
• InChIKey: RQDRDBNECYWJHJ-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 149.73 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 2
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.16
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile?

The IUPAC name of 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile (CID 160697247) is 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile.

What is the SMILES notation for 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile?

The canonical SMILES for 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile is COc1cc(C)c(C)c(OC)n1.Cc1cc(C(F)(F)F)nc(C(F)(F)F)c1C.Cc1cc(Cl)nc(Cl)c1C.Cc1cc(F)nc(F)c1C.Cc1cc(F)nc(F)c1C.Cc1ccnc(C(F)(F)F)c1C.Cc1cnc(C(F)(F)F)cc1C.[C-]#[N+]c1nc(C#N)cc(C)c1C.

What is the InChIKey of 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile?

The InChIKey is RQDRDBNECYWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N.C9H7N3.C9H13NO2.2C8H8F3N.C7H7Cl2N.2C7H7F2N/c1-4-3-6(8(10,11)12)16-7(5(4)2)9(13,14)15;1-6-4-8(5-10)12-9(11-3)7(6)2;1-6-5-8(11-3)10-9(12-4)7(6)2;1-5-3-7(8(9,10)11)12-4-6(5)2;1-5-3-4-12-7(6(5)2)8(9,10)11;3*1-4-3-6(8)10-7(9)5(4)2/h3H,1-2H3;4H,1-2H3;5H,1-4H3;2*3-4H,1-2H3;3*3H,1-2H3.

What are the key properties of 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile?

2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile has a molecular weight of 1380.16 g/mol, XLogP of 19.97, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-3,4-dimethylpyridine;bis(2,6-difluoro-3,4-dimethylpyridine);2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2-(trifluoromethyl)pyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile is sourced from PubChem (CID 160697247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).