6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide

C7H5F3N2O2 — CID 118848607

IUPAC6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(C(F)F)c(F)c1=O
InChIInChI=1S/C7H5F3N2O2/c8-3-4(6(9)10)12-1-2(5(3)13)7(11)14/h1,6H,(H2,11,14)(H,12,13)
InChIKeyWXBSIRQWMHGHRF-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.55
Rot. Bonds2

About 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide

6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 118848607) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
PubChem CID118848607
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(C(F)F)c(F)c1=O
InChIInChI=1S/C7H5F3N2O2/c8-3-4(6(9)10)12-1-2(5(3)13)7(11)14/h1,6H,(H2,11,14)(H,12,13)
InChIKeyWXBSIRQWMHGHRF-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

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide (CID 118848607) is 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c[nH]c(C(F)F)c(F)c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WXBSIRQWMHGHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-3-4(6(9)10)12-1-2(5(3)13)7(11)14/h1,6H,(H2,11,14)(H,12,13).
What are the key properties of 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide?
6-(difluoromethyl)-5-fluoro-4-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 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118848607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).