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

C99H113F45N10Nb10-10 — CID 167559456

IUPAC3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine
SMILESCc1cc(CC(F)(F)F)ccn1.Cc1cccc(C)n1.Cc1ccccn1.Cc1nc(C)c(CC(F)(F)F)c(CC(F)(F)F)c1CC(F)(F)F.Cc1nc(C)c(CC(F)(F)F)c(CC(F)(F)F)c1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.FC(F)(F)Cc1ccncc1.FC(F)(F)Cc1ccncc1CC(F)(F)F.FC(F)(F)Cc1cncc(CC(F)(F)F)c1.FC(F)(F)Cc1cncc(CC(F)(F)F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb]
InChIInChI=1S/2C13H12F9N.3C9H7F6N.2C8H8F3N.C7H6F3N.C7H9N.C6H7N.10CH3.10Nb/c2*1-6-8(3-11(14,15)16)10(5-13(20,21)22)9(7(2)23-6)4-12(17,18)19;2*10-8(11,12)2-6-1-7(5-16-4-6)3-9(13,14)15;10-8(11,12)3-6-1-2-16-5-7(6)4-9(13,14)15;1-6-4-7(2-3-12-6)5-8(9,10)11;1-6-7(3-2-4-12-6)5-8(9,10)11;8-7(9,10)5-6-1-3-11-4-2-6;1-6-4-3-5-7(2)8-6;1-6-4-2-3-5-7-6;;;;;;;;;;;;;;;;;;;;/h2*3-5H2,1-2H3;2*1,4-5H,2-3H2;1-2,5H,3-4H2;2*2-4H,5H2,1H3;1-4H,5H2;3-5H,1-2H3;2-5H,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyGULSEPYVSXQQCO-UHFFFAOYSA-N
MW3227.03 g/mol
LogP34.64
Rot. Bonds15

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

3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine (PubChem CID 167559456) has the molecular formula C99H113F45N10Nb10-10 and a molecular weight of 3227.03 g/mol. Its IUPAC name is 3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine.

Molecular Properties

Compound Name3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine
PubChem CID167559456
Molecular FormulaC99H113F45N10Nb10-10
Molecular Weight3227.03 g/mol
Exact Mass3225.91
IUPAC Name3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine
SMILESCc1cc(CC(F)(F)F)ccn1.Cc1cccc(C)n1.Cc1ccccn1.Cc1nc(C)c(CC(F)(F)F)c(CC(F)(F)F)c1CC(F)(F)F.Cc1nc(C)c(CC(F)(F)F)c(CC(F)(F)F)c1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.FC(F)(F)Cc1ccncc1.FC(F)(F)Cc1ccncc1CC(F)(F)F.FC(F)(F)Cc1cncc(CC(F)(F)F)c1.FC(F)(F)Cc1cncc(CC(F)(F)F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb]
InChIInChI=1S/2C13H12F9N.3C9H7F6N.2C8H8F3N.C7H6F3N.C7H9N.C6H7N.10CH3.10Nb/c2*1-6-8(3-11(14,15)16)10(5-13(20,21)22)9(7(2)23-6)4-12(17,18)19;2*10-8(11,12)2-6-1-7(5-16-4-6)3-9(13,14)15;10-8(11,12)3-6-1-2-16-5-7(6)4-9(13,14)15;1-6-4-7(2-3-12-6)5-8(9,10)11;1-6-7(3-2-4-12-6)5-8(9,10)11;8-7(9,10)5-6-1-3-11-4-2-6;1-6-4-3-5-7(2)8-6;1-6-4-2-3-5-7-6;;;;;;;;;;;;;;;;;;;;/h2*3-5H2,1-2H3;2*1,4-5H,2-3H2;1-2,5H,3-4H2;2*2-4H,5H2,1H3;1-4H,5H2;3-5H,1-2H3;2-5H,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyGULSEPYVSXQQCO-UHFFFAOYSA-N
XLogP34.64
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003227.03
LogP ≤ 534.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Related Compounds

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3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
Nemertelline
CID 3042423
1-[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium hexacosahexafluorophosphate
CID 46889635
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-4-pyridinyl]methanamine
CID 155568146
Pyridoclax
CID 92042827
Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636
Zinc tetra(4-N-methylpyridyl)porphine
CID 4547397
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)
CID 11040455
Tris[2-(2,4-difluorophenyl)pyridine]iridium(III)
CID 11491171

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine?
The IUPAC name of 3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine (CID 167559456) is 3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine.
What is the SMILES notation for 3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine?
The canonical SMILES for 3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine is Cc1cc(CC(F)(F)F)ccn1.Cc1cccc(C)n1.Cc1ccccn1.Cc1nc(C)c(CC(F)(F)F)c(CC(F)(F)F)c1CC(F)(F)F.Cc1nc(C)c(CC(F)(F)F)c(CC(F)(F)F)c1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.FC(F)(F)Cc1ccncc1.FC(F)(F)Cc1ccncc1CC(F)(F)F.FC(F)(F)Cc1cncc(CC(F)(F)F)c1.FC(F)(F)Cc1cncc(CC(F)(F)F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].
What is the InChIKey of 3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine?
The InChIKey is GULSEPYVSXQQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12F9N.3C9H7F6N.2C8H8F3N.C7H6F3N.C7H9N.C6H7N.10CH3.10Nb/c2*1-6-8(3-11(14,15)16)10(5-13(20,21)22)9(7(2)23-6)4-12(17,18)19;2*10-8(11,12)2-6-1-7(5-16-4-6)3-9(13,14)15;10-8(11,12)3-6-1-2-16-5-7(6)4-9(13,14)15;1-6-4-7(2-3-12-6)5-8(9,10)11;1-6-7(3-2-4-12-6)5-8(9,10)11;8-7(9,10)5-6-1-3-11-4-2-6;1-6-4-3-5-7(2)8-6;1-6-4-2-3-5-7-6;;;;;;;;;;;;;;;;;;;;/h2*3-5H2,1-2H3;2*1,4-5H,2-3H2;1-2,5H,3-4H2;2*2-4H,5H2,1H3;1-4H,5H2;3-5H,1-2H3;2-5H,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;.
What are the key properties of 3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine?
3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine has a molecular weight of 3227.03 g/mol, XLogP of 34.64, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2,2,2-trifluoroethyl)pyridine;bis(3,5-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethylpyridine;bis(2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine);2-methylpyridine;2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;niobium;4-(2,2,2-trifluoroethyl)pyridine is sourced from PubChem (CID 167559456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).