2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile

C8H5N3O — CID 3681588

IUPAC2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile
SMILESCc1[nH]c(=O)cc(C#N)c1C#N
InChIInChI=1S/C8H5N3O/c1-5-7(4-10)6(3-9)2-8(12)11-5/h2H,1H3,(H,11,12)
InChIKeySVNLNCFGFXMTNQ-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.43
Rot. Bonds

About 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile

2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile (PubChem CID 3681588) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile
PubChem CID3681588
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile
SMILESCc1[nH]c(=O)cc(C#N)c1C#N
InChIInChI=1S/C8H5N3O/c1-5-7(4-10)6(3-9)2-8(12)11-5/h2H,1H3,(H,11,12)
InChIKeySVNLNCFGFXMTNQ-UHFFFAOYSA-N
XLogP0.43
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile?
The IUPAC name of 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile (CID 3681588) is 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile is Cc1[nH]c(=O)cc(C#N)c1C#N.
What is the InChIKey of 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile?
The InChIKey is SVNLNCFGFXMTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c1-5-7(4-10)6(3-9)2-8(12)11-5/h2H,1H3,(H,11,12).
What are the key properties of 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile?
2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile has a molecular weight of 159.15 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-1H-pyridine-3,4-dicarbonitrile is sourced from PubChem (CID 3681588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).