carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine

C47H56F26N6Nb6-6 — CID 167596892

About carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine

carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine (PubChem CID 167596892) has the molecular formula C47H56F26N6Nb6-6 and a molecular weight of 1756.39 g/mol. Its IUPAC name is carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine.

Molecular Properties

• Compound Name: carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine
• PubChem CID: 167596892
• Molecular Formula: C47H56F26N6Nb6-6
• Molecular Weight: 1756.39 g/mol
• Exact Mass: 1755.86
• IUPAC Name: carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine
• SMILES: C.C.C.C.C.C.Fc1cc(C(F)(F)F)cnc1F.Fc1ccc(C(F)(F)F)cn1.Fc1cncc(C(F)(F)F)c1.Fc1cncc(C(F)(F)F)c1F.Fc1cncc(F)c1C(F)(F)F.Fc1cncc(F)c1F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb]
• InChI: InChI=1S/3C6H2F5N.2C6H3F4N.C5H2F3N.6CH4.6CH3.6Nb/c7-3-1-12-2-4(8)5(3)6(9,10)11;7-4-2-12-1-3(5(4)8)6(9,10)11;7-4-1-3(6(9,10)11)2-12-5(4)8;7-5-1-4(2-11-3-5)6(8,9)10;7-5-2-1-4(3-11-5)6(8,9)10;6-3-1-9-2-4(7)5(3)8;;;;;;;;;;;;;;;;;;/h3*1-2H;2*1-3H;1-2H;6*1H4;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1
• InChIKey: KZSBFQQQWUYFQZ-UHFFFAOYSA-N
• XLogP: 19.62
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1756.39
LogP ≤ 5	19.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine?

The IUPAC name of carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine (CID 167596892) is carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine.

What is the SMILES notation for carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine?

The canonical SMILES for carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine is C.C.C.C.C.C.Fc1cc(C(F)(F)F)cnc1F.Fc1ccc(C(F)(F)F)cn1.Fc1cncc(C(F)(F)F)c1.Fc1cncc(C(F)(F)F)c1F.Fc1cncc(F)c1C(F)(F)F.Fc1cncc(F)c1F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].

What is the InChIKey of carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine?

The InChIKey is KZSBFQQQWUYFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H2F5N.2C6H3F4N.C5H2F3N.6CH4.6CH3.6Nb/c7-3-1-12-2-4(8)5(3)6(9,10)11;7-4-2-12-1-3(5(4)8)6(9,10)11;7-4-1-3(6(9,10)11)2-12-5(4)8;7-5-1-4(2-11-3-5)6(8,9)10;7-5-2-1-4(3-11-5)6(8,9)10;6-3-1-9-2-4(7)5(3)8;;;;;;;;;;;;;;;;;;/h3*1-2H;2*1-3H;1-2H;6*1H4;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;.

What are the key properties of carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine?

carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine has a molecular weight of 1756.39 g/mol, XLogP of 19.62, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2,3-difluoro-5-(trifluoromethyl)pyridine;3,4-difluoro-5-(trifluoromethyl)pyridine;3,5-difluoro-4-(trifluoromethyl)pyridine;2-fluoro-5-(trifluoromethyl)pyridine;3-fluoro-5-(trifluoromethyl)pyridine;methane;niobium;3,4,5-trifluoropyridine is sourced from PubChem (CID 167596892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).