3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

C54H75F21N6Nb6-6 — CID 167619077

IUPAC3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.Cc1cccc(C)n1.Cc1ccccn1.Cc1nc(C)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.FC(F)(F)c1cncc(C(F)(F)F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb]
InChIInChI=1S/C10H6F9N.C7H3F6N.C7H9N.2C6H4F3N.C6H7N.6CH4.6CH3.6Nb/c1-3-5(8(11,12)13)7(10(17,18)19)6(4(2)20-3)9(14,15)16;8-6(9,10)4-1-5(3-14-2-4)7(11,12)13;1-6-4-3-5-7(2)8-6;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;1-6-4-2-3-5-7-6;;;;;;;;;;;;;;;;;;/h1-2H3;1-3H;3-5H,1-2H3;2*1-4H;2-5H,1H3;6*1H4;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;
InChIKeyPMVDTQJFRSRCID-UHFFFAOYSA-N
MW1764.63 g/mol
LogP21.67
Rot. Bonds

About 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (PubChem CID 167619077) has the molecular formula C54H75F21N6Nb6-6 and a molecular weight of 1764.63 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
PubChem CID167619077
Molecular FormulaC54H75F21N6Nb6-6
Molecular Weight1764.63 g/mol
Exact Mass1764.01
IUPAC Name3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.Cc1cccc(C)n1.Cc1ccccn1.Cc1nc(C)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.FC(F)(F)c1cncc(C(F)(F)F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb]
InChIInChI=1S/C10H6F9N.C7H3F6N.C7H9N.2C6H4F3N.C6H7N.6CH4.6CH3.6Nb/c1-3-5(8(11,12)13)7(10(17,18)19)6(4(2)20-3)9(14,15)16;8-6(9,10)4-1-5(3-14-2-4)7(11,12)13;1-6-4-3-5-7(2)8-6;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;1-6-4-2-3-5-7-6;;;;;;;;;;;;;;;;;;/h1-2H3;1-3H;3-5H,1-2H3;2*1-4H;2-5H,1H3;6*1H4;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;
InChIKeyPMVDTQJFRSRCID-UHFFFAOYSA-N
XLogP21.67
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001764.63
LogP ≤ 521.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
Nemertelline
CID 3042423
4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
1,19,37,55-Tetrazoniapentacyclo[67.3.1.115,19.133,37.151,55]hexaheptaconta-1(72),15(76),16,18,33(75),34,36,51(74),52,54,69(73),70-dodecaene tetraiodide
CID 70694113
4-(4-Methylphenyl)-2-(6-(2-pyridyl)(2-pyridyl))pyridine
CID 20787103
Pyridoclax
CID 92042827
Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)
CID 11040455
Ir(ppy)3
CID 11388194

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
The IUPAC name of 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (CID 167619077) is 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
The canonical SMILES for 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is C.C.C.C.C.C.Cc1cccc(C)n1.Cc1ccccn1.Cc1nc(C)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.FC(F)(F)c1cncc(C(F)(F)F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].
What is the InChIKey of 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
The InChIKey is PMVDTQJFRSRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F9N.C7H3F6N.C7H9N.2C6H4F3N.C6H7N.6CH4.6CH3.6Nb/c1-3-5(8(11,12)13)7(10(17,18)19)6(4(2)20-3)9(14,15)16;8-6(9,10)4-1-5(3-14-2-4)7(11,12)13;1-6-4-3-5-7(2)8-6;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;1-6-4-2-3-5-7-6;;;;;;;;;;;;;;;;;;/h1-2H3;1-3H;3-5H,1-2H3;2*1-4H;2-5H,1H3;6*1H4;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;.
What are the key properties of 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 1764.63 g/mol, XLogP of 21.67, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)pyridine;carbanide;2,6-dimethylpyridine;2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine;methane;2-methylpyridine;niobium;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 167619077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).