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

C7H5F3N2O2 — CID 130079843

IUPAC3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c(F)cc(=O)c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-3-1-2(13)4(6(9)10)5(12-3)7(11)14/h1,6H,(H2,11,14)(H,12,13)
InChIKeyOCTHVMGRKUZMED-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.55
Rot. Bonds2

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

3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 130079843) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide
PubChem CID130079843
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c(F)cc(=O)c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-3-1-2(13)4(6(9)10)5(12-3)7(11)14/h1,6H,(H2,11,14)(H,12,13)
InChIKeyOCTHVMGRKUZMED-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-bromo-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
CID 130109271
3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride
CID 130084067
3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one
CID 130099612
2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide
CID 118826057
3-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 130072951
2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 119005211
3-(difluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666248
6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 118992620
5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130072218
6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 130110384
4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 118821921
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130104925

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide (CID 130079843) is 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide is NC(=O)c1[nH]c(F)cc(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is OCTHVMGRKUZMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-3-1-2(13)4(6(9)10)5(12-3)7(11)14/h1,6H,(H2,11,14)(H,12,13).
What are the key properties of 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide?
3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-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 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 130079843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).