6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide

C13H9F3N2O3 — CID 28880165

IUPAC6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)21-10-4-2-1-3-9(10)18-12(20)8-5-6-11(19)17-7-8/h1-7H,(H,17,19)(H,18,20)
InChIKeyMBIXZWPZKCMVKT-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.53
Rot. Bonds3

About 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide

6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 28880165) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
PubChem CID28880165
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)21-10-4-2-1-3-9(10)18-12(20)8-5-6-11(19)17-7-8/h1-7H,(H,17,19)(H,18,20)
InChIKeyMBIXZWPZKCMVKT-UHFFFAOYSA-N
XLogP2.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 788210
4-amino-N-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642919
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
N-(3-fluoro-2-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113340932
N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 47355443
N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 42089647
6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 35204389
N-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47251252
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide (CID 28880165) is 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is MBIXZWPZKCMVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c14-13(15,16)21-10-4-2-1-3-9(10)18-12(20)8-5-6-11(19)17-7-8/h1-7H,(H,17,19)(H,18,20).
What are the key properties of 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 298.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 28880165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).