carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum

C50H76F12N6Ta6-6 — CID 167540993

IUPACcarbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum
SMILESC.C.C.C.C.C.CCc1ccnc(F)c1.CCc1ccncc1F.Cc1ccnc(F)c1.Cc1ccncc1F.Fc1cc(C(F)(F)F)ccn1.Fc1cnccc1C(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta]
InChIInChI=1S/2C7H8FN.2C6H3F4N.2C6H6FN.6CH4.6CH3.6Ta/c1-2-6-3-4-9-5-7(6)8;1-2-6-3-4-9-7(8)5-6;7-5-3-11-2-1-4(5)6(8,9)10;7-5-3-4(1-2-11-5)6(8,9)10;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;;;;;;;;;;;;;;;;;;/h2*3-5H,2H2,1H3;2*1-3H;2*2-4H,1H3;6*1H4;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;
InChIKeyHNWJBNNFLXERIS-UHFFFAOYSA-N
MW2074.86 g/mol
LogP17.61
Rot. Bonds2

About carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum

carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum (PubChem CID 167540993) has the molecular formula C50H76F12N6Ta6-6 and a molecular weight of 2074.86 g/mol. Its IUPAC name is carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum.

Molecular Properties

Compound Namecarbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum
PubChem CID167540993
Molecular FormulaC50H76F12N6Ta6-6
Molecular Weight2074.86 g/mol
Exact Mass2074.29
IUPAC Namecarbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum
SMILESC.C.C.C.C.C.CCc1ccnc(F)c1.CCc1ccncc1F.Cc1ccnc(F)c1.Cc1ccncc1F.Fc1cc(C(F)(F)F)ccn1.Fc1cnccc1C(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta]
InChIInChI=1S/2C7H8FN.2C6H3F4N.2C6H6FN.6CH4.6CH3.6Ta/c1-2-6-3-4-9-5-7(6)8;1-2-6-3-4-9-7(8)5-6;7-5-3-11-2-1-4(5)6(8,9)10;7-5-3-4(1-2-11-5)6(8,9)10;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;;;;;;;;;;;;;;;;;;/h2*3-5H,2H2,1H3;2*1-3H;2*2-4H,1H3;6*1H4;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;
InChIKeyHNWJBNNFLXERIS-UHFFFAOYSA-N
XLogP17.61
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002074.86
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum with MolForge

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Related Compounds

Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)
CID 11040455
(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
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium
CID 46889628
4-Ethylpyridine-, Manganese dithiocyanid
CID 498029
Tris(4,4'-dimethyl-2,2'-bipyridine)ruthenium(II) hexafluorophosphate
CID 15198704
Bis(4-Methylpyridyl)Nickel(Ii) Thiocyanate
CID 117071478
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]methyl]-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 octadecahexafluorophosphate
CID 46871630
1-[3,5-Bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium hexahexafluorophosphate
CID 46889623
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium hexahexafluorophosphate
CID 46889627
1-[[3,5-Bis[[4-(1-ethenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(1-ethenylpyridin-1-ium-4-yl)pyridin-1-ium hexahexafluorophosphate
CID 46889629
1-[[3,5-Bis[[4-(1-vinylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(1-vinylpyridin-1-ium-4-yl)pyridin-1-ium
CID 46889630
1,1'-Bis(3-(1'-methyl-(4,4'-bipyridinium)-1-yl)-propyl)-4,4'-bipyridinium
CID 194834

Frequently Asked Questions

What is the IUPAC name of carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum?
The IUPAC name of carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum (CID 167540993) is carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum.
What is the SMILES notation for carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum?
The canonical SMILES for carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum is C.C.C.C.C.C.CCc1ccnc(F)c1.CCc1ccncc1F.Cc1ccnc(F)c1.Cc1ccncc1F.Fc1cc(C(F)(F)F)ccn1.Fc1cnccc1C(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].
What is the InChIKey of carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum?
The InChIKey is HNWJBNNFLXERIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8FN.2C6H3F4N.2C6H6FN.6CH4.6CH3.6Ta/c1-2-6-3-4-9-5-7(6)8;1-2-6-3-4-9-7(8)5-6;7-5-3-11-2-1-4(5)6(8,9)10;7-5-3-4(1-2-11-5)6(8,9)10;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;;;;;;;;;;;;;;;;;;/h2*3-5H,2H2,1H3;2*1-3H;2*2-4H,1H3;6*1H4;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;.
What are the key properties of carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum?
carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum has a molecular weight of 2074.86 g/mol, XLogP of 17.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-ethyl-2-fluoropyridine;4-ethyl-3-fluoropyridine;2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-fluoro-4-(trifluoromethyl)pyridine;3-fluoro-4-(trifluoromethyl)pyridine;methane;tantalum is sourced from PubChem (CID 167540993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).