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

C7H6F2N2O2 — CID 99991597

IUPAC2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H6F2N2O2/c8-6(9)5-3(7(10)13)1-2-4(12)11-5/h1-2,6H,(H2,10,13)(H,11,12)
InChIKeyQBADYNMKYGZDQE-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.41
Rot. Bonds2

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

2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 99991597) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID99991597
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H6F2N2O2/c8-6(9)5-3(7(10)13)1-2-4(12)11-5/h1-2,6H,(H2,10,13)(H,11,12)
InChIKeyQBADYNMKYGZDQE-UHFFFAOYSA-N
XLogP0.41
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 99991597) is 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1ccc(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QBADYNMKYGZDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-6(9)5-3(7(10)13)1-2-4(12)11-5/h1-2,6H,(H2,10,13)(H,11,12).
What are the key properties of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 188.13 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 99991597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).