2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C8H7F3N2O2 — CID 45497127

IUPAC2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc[nH]c1=O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-7(15)5-2-1-3-12-6(5)14/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyNCSYXQSOZLCAAS-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.67
Rot. Bonds2

About 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 45497127) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID45497127
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc[nH]c1=O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-7(15)5-2-1-3-12-6(5)14/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyNCSYXQSOZLCAAS-UHFFFAOYSA-N
XLogP0.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
2-Hydroxy-3-pyridinecarboxamide
CID 258299
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CID 542065
N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 13928728
2-Hydroxy-n,n-diethylnicotinamide
CID 59042094
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
N-Allyl-5-bromo-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828233
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708591
N,1-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 68491556
2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 68721257
3-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]propylcarbamic acid
CID 68896418

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 45497127) is 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is O=C(NCC(F)(F)F)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NCSYXQSOZLCAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-7(15)5-2-1-3-12-6(5)14/h1-3H,4H2,(H,12,14)(H,13,15).
What are the key properties of 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45497127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).