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

C8H7F3N2O2 — CID 177250566

IUPAC2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-3-1-2-5(6(12)14)7(13)15/h1-3H,4H2,(H2,12,14)
InChIKeyUHZJZOGUDJKUNK-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.51
Rot. Bonds2

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

2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 177250566) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID177250566
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-3-1-2-5(6(12)14)7(13)15/h1-3H,4H2,(H2,12,14)
InChIKeyUHZJZOGUDJKUNK-UHFFFAOYSA-N
XLogP0.51
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 177250566) is 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is NC(=O)c1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is UHZJZOGUDJKUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-3-1-2-5(6(12)14)7(13)15/h1-3H,4H2,(H2,12,14).
What are the key properties of 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 177250566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).