2-oxo-1H-pyridine-3,4-dicarbonitrile

C7H3N3O — CID 45123459

IUPAC2-oxo-1H-pyridine-3,4-dicarbonitrile
SMILESN#Cc1cc[nH]c(=O)c1C#N
InChIInChI=1S/C7H3N3O/c8-3-5-1-2-10-7(11)6(5)4-9/h1-2H,(H,10,11)
InChIKeyKQFSNLOWBZEMBS-UHFFFAOYSA-N
MW145.12 g/mol
LogP0.12
Rot. Bonds

About 2-oxo-1H-pyridine-3,4-dicarbonitrile

2-oxo-1H-pyridine-3,4-dicarbonitrile (PubChem CID 45123459) has the molecular formula C7H3N3O and a molecular weight of 145.12 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-oxo-1H-pyridine-3,4-dicarbonitrile
PubChem CID45123459
Molecular FormulaC7H3N3O
Molecular Weight145.12 g/mol
Exact Mass145.03
IUPAC Name2-oxo-1H-pyridine-3,4-dicarbonitrile
SMILESN#Cc1cc[nH]c(=O)c1C#N
InChIInChI=1S/C7H3N3O/c8-3-5-1-2-10-7(11)6(5)4-9/h1-2H,(H,10,11)
InChIKeyKQFSNLOWBZEMBS-UHFFFAOYSA-N
XLogP0.12
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-3,4-dicarbonitrile?
The IUPAC name of 2-oxo-1H-pyridine-3,4-dicarbonitrile (CID 45123459) is 2-oxo-1H-pyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-oxo-1H-pyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-oxo-1H-pyridine-3,4-dicarbonitrile is N#Cc1cc[nH]c(=O)c1C#N.
What is the InChIKey of 2-oxo-1H-pyridine-3,4-dicarbonitrile?
The InChIKey is KQFSNLOWBZEMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3O/c8-3-5-1-2-10-7(11)6(5)4-9/h1-2H,(H,10,11).
What are the key properties of 2-oxo-1H-pyridine-3,4-dicarbonitrile?
2-oxo-1H-pyridine-3,4-dicarbonitrile has a molecular weight of 145.12 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyridine-3,4-dicarbonitrile is sourced from PubChem (CID 45123459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).