3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile

C7H4F2N2O2 — CID 130100027

IUPAC3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(O)c1C(F)F
InChIInChI=1S/C7H4F2N2O2/c8-6(9)5-3(2-10)1-4(12)11-7(5)13/h1,6H,(H2,11,12,13)
InChIKeyLXWHRUOJFOFBKS-UHFFFAOYSA-N
MW186.12 g/mol
LogP0.89
Rot. Bonds1

About 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile

3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile (PubChem CID 130100027) has the molecular formula C7H4F2N2O2 and a molecular weight of 186.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
PubChem CID130100027
Molecular FormulaC7H4F2N2O2
Molecular Weight186.12 g/mol
Exact Mass186.02
IUPAC Name3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(O)c1C(F)F
InChIInChI=1S/C7H4F2N2O2/c8-6(9)5-3(2-10)1-4(12)11-7(5)13/h1,6H,(H2,11,12,13)
InChIKeyLXWHRUOJFOFBKS-UHFFFAOYSA-N
XLogP0.89
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile (CID 130100027) is 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile is N#Cc1cc(=O)[nH]c(O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is LXWHRUOJFOFBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O2/c8-6(9)5-3(2-10)1-4(12)11-7(5)13/h1,6H,(H2,11,12,13).
What are the key properties of 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile?
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 186.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 130100027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).