3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum

C94H110F38N10Nb9Ta-10 — CID 167635271

IUPAC3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum
SMILESCc1cc(CC(F)(F)F)cc(C)n1.Cc1cc(CC(F)(F)F)cc(C)n1.Cc1cc(CC(F)(F)F)ccn1.Cc1ccc(CC(F)(F)F)cn1.Cc1ccc(CC(F)(F)F)cn1.Cc1ncc(CC(F)(F)F)cc1CC(F)(F)F.Cc1ncc(CC(F)(F)F)cc1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.FC(F)(F)Cc1ccncc1CC(F)(F)F.Fc1cccnc1F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Ta]
InChIInChI=1S/2C10H9F6N.C9H7F6N.2C9H10F3N.4C8H8F3N.C5H3F2N.10CH3.9Nb.Ta/c2*1-6-8(4-10(14,15)16)2-7(5-17-6)3-9(11,12)13;10-8(11,12)3-6-1-2-16-5-7(6)4-9(13,14)15;2*1-6-3-8(4-7(2)13-6)5-9(10,11)12;1-6-4-7(2-3-12-6)5-8(9,10)11;2*1-6-2-3-7(5-12-6)4-8(9,10)11;1-6-7(3-2-4-12-6)5-8(9,10)11;6-4-2-1-3-8-5(4)7;;;;;;;;;;;;;;;;;;;;/h2*2,5H,3-4H2,1H3;1-2,5H,3-4H2;2*3-4H,5H2,1-2H3;2-4H,5H2,1H3;2*2-3,5H,4H2,1H3;2-4H,5H2,1H3;1-3H;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyNMAYYMQIBFSKSQ-UHFFFAOYSA-N
MW3119.01 g/mol
LogP31.91
Rot. Bonds12

About 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum

3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum (PubChem CID 167635271) has the molecular formula C94H110F38N10Nb9Ta-10 and a molecular weight of 3119.01 g/mol. Its IUPAC name is 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum.

Molecular Properties

Compound Name3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum
PubChem CID167635271
Molecular FormulaC94H110F38N10Nb9Ta-10
Molecular Weight3119.01 g/mol
Exact Mass3117.94
IUPAC Name3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum
SMILESCc1cc(CC(F)(F)F)cc(C)n1.Cc1cc(CC(F)(F)F)cc(C)n1.Cc1cc(CC(F)(F)F)ccn1.Cc1ccc(CC(F)(F)F)cn1.Cc1ccc(CC(F)(F)F)cn1.Cc1ncc(CC(F)(F)F)cc1CC(F)(F)F.Cc1ncc(CC(F)(F)F)cc1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.FC(F)(F)Cc1ccncc1CC(F)(F)F.Fc1cccnc1F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Ta]
InChIInChI=1S/2C10H9F6N.C9H7F6N.2C9H10F3N.4C8H8F3N.C5H3F2N.10CH3.9Nb.Ta/c2*1-6-8(4-10(14,15)16)2-7(5-17-6)3-9(11,12)13;10-8(11,12)3-6-1-2-16-5-7(6)4-9(13,14)15;2*1-6-3-8(4-7(2)13-6)5-9(10,11)12;1-6-4-7(2-3-12-6)5-8(9,10)11;2*1-6-2-3-7(5-12-6)4-8(9,10)11;1-6-7(3-2-4-12-6)5-8(9,10)11;6-4-2-1-3-8-5(4)7;;;;;;;;;;;;;;;;;;;;/h2*2,5H,3-4H2,1H3;1-2,5H,3-4H2;2*3-4H,5H2,1-2H3;2-4H,5H2,1H3;2*2-3,5H,4H2,1H3;2-4H,5H2,1H3;1-3H;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyNMAYYMQIBFSKSQ-UHFFFAOYSA-N
XLogP31.91
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003119.01
LogP ≤ 531.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum 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
Pyridoclax
CID 92042827
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
Tris[2-(2,4-difluorophenyl)pyridine]iridium(III)
CID 11491171
1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
CID 15771932
2,4,6-Tri(pyridin-4-yl)pyridine
CID 46317148
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate
CID 53260182
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis((2-pyridinyl)phenyl)iridium(III) Hexafluorophosphate
CID 60146995
1-[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium decahexafluorophosphate
CID 46222002

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum?
The IUPAC name of 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum (CID 167635271) is 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum.
What is the SMILES notation for 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum?
The canonical SMILES for 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum is Cc1cc(CC(F)(F)F)cc(C)n1.Cc1cc(CC(F)(F)F)cc(C)n1.Cc1cc(CC(F)(F)F)ccn1.Cc1ccc(CC(F)(F)F)cn1.Cc1ccc(CC(F)(F)F)cn1.Cc1ncc(CC(F)(F)F)cc1CC(F)(F)F.Cc1ncc(CC(F)(F)F)cc1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.FC(F)(F)Cc1ccncc1CC(F)(F)F.Fc1cccnc1F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Nb].[Ta].
What is the InChIKey of 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum?
The InChIKey is NMAYYMQIBFSKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9F6N.C9H7F6N.2C9H10F3N.4C8H8F3N.C5H3F2N.10CH3.9Nb.Ta/c2*1-6-8(4-10(14,15)16)2-7(5-17-6)3-9(11,12)13;10-8(11,12)3-6-1-2-16-5-7(6)4-9(13,14)15;2*1-6-3-8(4-7(2)13-6)5-9(10,11)12;1-6-4-7(2-3-12-6)5-8(9,10)11;2*1-6-2-3-7(5-12-6)4-8(9,10)11;1-6-7(3-2-4-12-6)5-8(9,10)11;6-4-2-1-3-8-5(4)7;;;;;;;;;;;;;;;;;;;;/h2*2,5H,3-4H2,1H3;1-2,5H,3-4H2;2*3-4H,5H2,1-2H3;2-4H,5H2,1H3;2*2-3,5H,4H2,1H3;2-4H,5H2,1H3;1-3H;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;.
What are the key properties of 3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum?
3,4-bis(2,2,2-trifluoroethyl)pyridine;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum has a molecular weight of 3119.01 g/mol, XLogP of 31.91, 12 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;carbanide;2,3-difluoropyridine;bis(2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine);2-methyl-3-(2,2,2-trifluoroethyl)pyridine;2-methyl-4-(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-5-(2,2,2-trifluoroethyl)pyridine);niobium;tantalum is sourced from PubChem (CID 167635271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).