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

C7H4F2N2O2 — CID 119007712

IUPAC4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)cc(C(F)F)c1O
InChIInChI=1S/C7H4F2N2O2/c8-7(9)3-1-5(12)11-4(2-10)6(3)13/h1,7,13H,(H,11,12)
InChIKeyNTMWGNKTJNQTHN-UHFFFAOYSA-N
MW186.12 g/mol
LogP0.89
Rot. Bonds1

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

4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 119007712) has the molecular formula C7H4F2N2O2 and a molecular weight of 186.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID119007712
Molecular FormulaC7H4F2N2O2
Molecular Weight186.12 g/mol
Exact Mass186.02
IUPAC Name4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)cc(C(F)F)c1O
InChIInChI=1S/C7H4F2N2O2/c8-7(9)3-1-5(12)11-4(2-10)6(3)13/h1,7,13H,(H,11,12)
InChIKeyNTMWGNKTJNQTHN-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 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile (CID 119007712) is 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)cc(C(F)F)c1O.
What is the InChIKey of 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is NTMWGNKTJNQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O2/c8-7(9)3-1-5(12)11-4(2-10)6(3)13/h1,7,13H,(H,11,12).
What are the key properties of 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile?
4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-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 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 119007712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).