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

C7H5F3N2O2 — CID 130079824

IUPAC3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(F)c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-5(9)4-2(7(11)14)1-3(13)12-6(4)10/h1,5H,(H2,11,14)(H,12,13)
InChIKeyBPSGJAFMIMGWBG-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.55
Rot. Bonds2

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

3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 130079824) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide
PubChem CID130079824
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(F)c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-5(9)4-2(7(11)14)1-3(13)12-6(4)10/h1,5H,(H2,11,14)(H,12,13)
InChIKeyBPSGJAFMIMGWBG-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

4-(Difluoromethyl)-2-hydroxypyridine-5-carboxamide
CID 118852080
2,6-Dihydroxy-4-(trifluoromethyl)nicotinamide
CID 122360887
6-Oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
CID 130851852
6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535
2-(5-fluoro-2-hydroxy-6-oxo-1H-pyridin-3-yl)acetamide
CID 139636569
2-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 145360219
2-fluoro-6-oxo-1H-pyridine-3-carboxamide
CID 152190115
4-(Trifluoromethyl)-1,2-dihydropyridine-5-carboxamide
CID 153699708
6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 175766042
2-(Difluoromethyl)-6-hydroxypyridine-3-carboxamide
CID 99991597
4-(Difluoromethyl)-6-hydroxy-2-iodonicotinamide
CID 118817301
4-(Difluoromethyl)-2,6-dihydroxynicotinamide
CID 118818692

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide (CID 130079824) is 3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide is NC(=O)c1cc(=O)[nH]c(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is BPSGJAFMIMGWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-5(9)4-2(7(11)14)1-3(13)12-6(4)10/h1,5H,(H2,11,14)(H,12,13).
What are the key properties of 3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide?
3-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-4-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)-2-fluoro-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 130079824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).