2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile

C8H6F3N3 — CID 24690844

IUPAC2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCC(F)(F)F
InChIInChI=1S/C8H6F3N3/c9-8(10,11)5-14-7-6(4-12)2-1-3-13-7/h1-3H,5H2,(H,13,14)
InChIKeySUFFMDCMBDGEHH-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.93
Rot. Bonds2

About 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile

2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile (PubChem CID 24690844) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
PubChem CID24690844
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCC(F)(F)F
InChIInChI=1S/C8H6F3N3/c9-8(10,11)5-14-7-6(4-12)2-1-3-13-7/h1-3H,5H2,(H,13,14)
InChIKeySUFFMDCMBDGEHH-UHFFFAOYSA-N
XLogP1.93
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 79563043
2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 133353245
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55728944
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile
CID 103674836
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361
2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798363
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile (CID 24690844) is 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile is N#Cc1cccnc1NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile?
The InChIKey is SUFFMDCMBDGEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-8(10,11)5-14-7-6(4-12)2-1-3-13-7/h1-3H,5H2,(H,13,14).
What are the key properties of 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile?
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile has a molecular weight of 201.15 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 24690844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).