2-oxo-1H-pyridine-3,5-dicarbonitrile

C7H3N3O — CID 84649010

IUPAC2-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c[nH]c(=O)c(C#N)c1
InChIInChI=1S/C7H3N3O/c8-2-5-1-6(3-9)7(11)10-4-5/h1,4H,(H,10,11)
InChIKeyLZPXQUNVCYRSCS-UHFFFAOYSA-N
MW145.12 g/mol
LogP0.12
Rot. Bonds

About 2-oxo-1H-pyridine-3,5-dicarbonitrile

2-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 84649010) has the molecular formula C7H3N3O and a molecular weight of 145.12 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID84649010
Molecular FormulaC7H3N3O
Molecular Weight145.12 g/mol
Exact Mass145.03
IUPAC Name2-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c[nH]c(=O)c(C#N)c1
InChIInChI=1S/C7H3N3O/c8-2-5-1-6(3-9)7(11)10-4-5/h1,4H,(H,10,11)
InChIKeyLZPXQUNVCYRSCS-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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Related Compounds

3-Cyano-2-pyridone
CID 577543
6-Hydroxynicotinonitrile
CID 7062197
5-Bromo-2-hydroxypyridine-3-carbonitrile
CID 7204870
4-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 10606782
5-Iodo-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 45480261
3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
2-(5-Bromo-2-hydroxypyridin-3-yl)acetonitrile
CID 68722586
5-Amino-6-hydroxynicotinonitrile
CID 84716152
5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 56972670
5-Chloro-2-hydroxypyridine-3-carbonitrile
CID 14211657
3,4-Pyridinedicarbonitrile, 1,2-dihydro-2-oxo-
CID 45123459
4-Ethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 84107149

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-oxo-1H-pyridine-3,5-dicarbonitrile (CID 84649010) is 2-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c[nH]c(=O)c(C#N)c1.
What is the InChIKey of 2-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is LZPXQUNVCYRSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3O/c8-2-5-1-6(3-9)7(11)10-4-5/h1,4H,(H,10,11).
What are the key properties of 2-oxo-1H-pyridine-3,5-dicarbonitrile?
2-oxo-1H-pyridine-3,5-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-3,5-dicarbonitrile is sourced from PubChem (CID 84649010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).