2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide

C8H7F3N2O2 — CID 103762808

IUPAC2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-7(15)5-1-2-12-6(14)3-5/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyNJCZAXUAWWBSFB-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.67
Rot. Bonds2

About 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide

2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide (PubChem CID 103762808) 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-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
PubChem CID103762808
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-7(15)5-1-2-12-6(14)3-5/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyNJCZAXUAWWBSFB-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-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
CID 103766068
N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106140156
3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
CID 114039659
N-(3-amino-3-oxopropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765710
N-[2-(ethylamino)-2-oxoethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762717
3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 114039657
N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114039911
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
N-(2,2-dicyclopropylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257672
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 71919015
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide (CID 103762808) is 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide is O=C(NCC(F)(F)F)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The InChIKey is NJCZAXUAWWBSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-7(15)5-1-2-12-6(14)3-5/h1-3H,4H2,(H,12,14)(H,13,15).
What are the key properties of 2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-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-4-carboxamide is sourced from PubChem (CID 103762808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).