5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile

C9H7N3O — CID 13468039

IUPAC5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C#N)c1C
InChIInChI=1S/C9H7N3O/c1-5-6(2)12-9(13)8(4-11)7(5)3-10/h1-2H3,(H,12,13)
InChIKeyIVKANFWPHAKRRJ-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.74
Rot. Bonds

About 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile

5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile (PubChem CID 13468039) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile
PubChem CID13468039
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C#N)c1C
InChIInChI=1S/C9H7N3O/c1-5-6(2)12-9(13)8(4-11)7(5)3-10/h1-2H3,(H,12,13)
InChIKeyIVKANFWPHAKRRJ-UHFFFAOYSA-N
XLogP0.74
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile?
The IUPAC name of 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile (CID 13468039) is 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile?
The canonical SMILES for 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile is Cc1[nH]c(=O)c(C#N)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile?
The InChIKey is IVKANFWPHAKRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-5-6(2)12-9(13)8(4-11)7(5)3-10/h1-2H3,(H,12,13).
What are the key properties of 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile?
5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile has a molecular weight of 173.17 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-1H-pyridine-3,4-dicarbonitrile is sourced from PubChem (CID 13468039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).