5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

C8H8N2O — CID 590532

IUPAC5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C8H8N2O/c1-5-3-7(4-9)8(11)10-6(5)2/h3H,1-2H3,(H,10,11)
InChIKeyBUGNNHLZTBPABI-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.86
Rot. Bonds

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

5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 590532) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID590532
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C8H8N2O/c1-5-3-7(4-9)8(11)10-6(5)2/h3H,1-2H3,(H,10,11)
InChIKeyBUGNNHLZTBPABI-UHFFFAOYSA-N
XLogP0.86
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 590532) is 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(C#N)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BUGNNHLZTBPABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-3-7(4-9)8(11)10-6(5)2/h3H,1-2H3,(H,10,11).
What are the key properties of 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 590532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).