6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide

C7H5F3N2O2 — CID 71144364

IUPAC6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)12-3-4(6(11)14)1-2-5(12)13/h1-3H,(H2,11,14)
InChIKeyIUWIMPQIRXRXRI-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.42
Rot. Bonds1

About 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide

6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 71144364) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID71144364
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)12-3-4(6(11)14)1-2-5(12)13/h1-3H,(H2,11,14)
InChIKeyIUWIMPQIRXRXRI-UHFFFAOYSA-N
XLogP0.42
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide (CID 71144364) is 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(=O)n(C(F)(F)F)c1.
What is the InChIKey of 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IUWIMPQIRXRXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)12-3-4(6(11)14)1-2-5(12)13/h1-3H,(H2,11,14).
What are the key properties of 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide?
6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 206.12 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71144364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).