2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide

C7H5F3N2O2 — CID 68721257

IUPAC2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(F)(F)F)c1ccc[nH]c1=O
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)12-6(14)4-2-1-3-11-5(4)13/h1-3H,(H,11,13)(H,12,14)
InChIKeyNCAQYKGENQRJLF-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.62
Rot. Bonds1

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

2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 68721257) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID68721257
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(F)(F)F)c1ccc[nH]c1=O
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)12-6(14)4-2-1-3-11-5(4)13/h1-3H,(H,11,13)(H,12,14)
InChIKeyNCAQYKGENQRJLF-UHFFFAOYSA-N
XLogP0.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 68721257) is 2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(F)(F)F)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NCAQYKGENQRJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)12-6(14)4-2-1-3-11-5(4)13/h1-3H,(H,11,13)(H,12,14).
What are the key properties of 2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 206.12 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 68721257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).