4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride

C8H8ClF3N2O2 — CID 162310887

IUPAC4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cn(CC(F)(F)F)ccc1=O
InChIInChI=1S/C8H7F3N2O2.ClH/c9-8(10,11)4-13-2-1-6(14)5(3-13)7(12)15;/h1-3H,4H2,(H2,12,15);1H
InChIKeyAPYORKNCYPINCI-UHFFFAOYSA-N
MW256.61 g/mol
LogP0.93
Rot. Bonds2

About 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride

4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 162310887) has the molecular formula C8H8ClF3N2O2 and a molecular weight of 256.61 g/mol. Its IUPAC name is 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID162310887
Molecular FormulaC8H8ClF3N2O2
Molecular Weight256.61 g/mol
Exact Mass256.02
IUPAC Name4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cn(CC(F)(F)F)ccc1=O
InChIInChI=1S/C8H7F3N2O2.ClH/c9-8(10,11)4-13-2-1-6(14)5(3-13)7(12)15;/h1-3H,4H2,(H2,12,15);1H
InChIKeyAPYORKNCYPINCI-UHFFFAOYSA-N
XLogP0.93
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.61
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride (CID 162310887) is 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride is Cl.NC(=O)c1cn(CC(F)(F)F)ccc1=O.
What is the InChIKey of 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is APYORKNCYPINCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2.ClH/c9-8(10,11)4-13-2-1-6(14)5(3-13)7(12)15;/h1-3H,4H2,(H2,12,15);1H.
What are the key properties of 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride?
4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 256.61 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 162310887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).