4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide

C7H5F3N2O2 — CID 118835409

IUPAC4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)cc(F)[nH]c1=O
InChIInChI=1S/C7H5F3N2O2/c8-3-1-2(5(9)10)4(6(11)13)7(14)12-3/h1,5H,(H2,11,13)(H,12,14)
InChIKeyKHHQQDBIIUSILC-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.55
Rot. Bonds2

About 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide

4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 118835409) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID118835409
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)cc(F)[nH]c1=O
InChIInChI=1S/C7H5F3N2O2/c8-3-1-2(5(9)10)4(6(11)13)7(14)12-3/h1,5H,(H2,11,13)(H,12,14)
InChIKeyKHHQQDBIIUSILC-UHFFFAOYSA-N
XLogP0.55
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-6-(trifluoromethyl)nicotinamide
CID 2775114
2-Hydroxy-4-(trifluoromethyl)nicotinamide
CID 542065
2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 11065630
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinamide
CID 14043512
6-Chlorodifluoromethyl-2-hydroxynicotinamide
CID 86756193
2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 89690179
4-(Trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 137376954
4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 170699866
6-fluoro-2-oxo-1H-pyridine-3-carboxamide
CID 175985145
4-(Difluoromethyl)-6-fluoro-2-hydroxynicotinaldehyde
CID 118818292
4-(Difluoromethyl)-2-hydroxy-6-methoxynicotinamide
CID 118823516
4-(Difluoromethyl)-5-fluoro-2-hydroxynicotinamide
CID 118823840

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide (CID 118835409) is 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c(C(F)F)cc(F)[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KHHQQDBIIUSILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-3-1-2(5(9)10)4(6(11)13)7(14)12-3/h1,5H,(H2,11,13)(H,12,14).
What are the key properties of 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide?
4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 206.12 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118835409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).