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

C7H5F3N2O2 — CID 118820682

IUPAC2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-3-1-2(6(11)13)4(5(9)10)12-7(3)14/h1,5H,(H2,11,13)(H,12,14)
InChIKeyUENMCOUCJAPYEP-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.55
Rot. Bonds2

About 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide

2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 118820682) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID118820682
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-3-1-2(6(11)13)4(5(9)10)12-7(3)14/h1,5H,(H2,11,13)(H,12,14)
InChIKeyUENMCOUCJAPYEP-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 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide (CID 118820682) is 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1cc(F)c(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UENMCOUCJAPYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-3-1-2(6(11)13)4(5(9)10)12-7(3)14/h1,5H,(H2,11,13)(H,12,14).
What are the key properties of 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
2-(difluoromethyl)-5-fluoro-6-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 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118820682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).