4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

C6H4N2O2 — CID 54706325

IUPAC4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)cc1O
InChIInChI=1S/C6H4N2O2/c7-2-4-3-8-6(10)1-5(4)9/h1,3H,(H2,8,9,10)
InChIKeyYQAJUEYKLZAWPQ-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.05
Rot. Bonds

About 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 54706325) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID54706325
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Name4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)cc1O
InChIInChI=1S/C6H4N2O2/c7-2-4-3-8-6(10)1-5(4)9/h1,3H,(H2,8,9,10)
InChIKeyYQAJUEYKLZAWPQ-UHFFFAOYSA-N
XLogP-0.05
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (CID 54706325) is 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(=O)cc1O.
What is the InChIKey of 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YQAJUEYKLZAWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2/c7-2-4-3-8-6(10)1-5(4)9/h1,3H,(H2,8,9,10).
What are the key properties of 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 136.11 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 54706325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).