6-methyl-2-oxo-3H-pyridine-3-carbonitrile

C7H6N2O — CID 57236360

IUPAC6-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC1=NC(=O)C(C#N)C=C1
InChIInChI=1S/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3,6H,1H3
InChIKeyCFCDQHMDKQFNJD-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.68
Rot. Bonds

About 6-methyl-2-oxo-3H-pyridine-3-carbonitrile

6-methyl-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 57236360) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 6-methyl-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID57236360
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name6-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC1=NC(=O)C(C#N)C=C1
InChIInChI=1S/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3,6H,1H3
InChIKeyCFCDQHMDKQFNJD-UHFFFAOYSA-N
XLogP0.68
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-3H-pyridine-3-carbonitrile (CID 57236360) is 6-methyl-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-3H-pyridine-3-carbonitrile is CC1=NC(=O)C(C#N)C=C1.
What is the InChIKey of 6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is CFCDQHMDKQFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3,6H,1H3.
What are the key properties of 6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
6-methyl-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 57236360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).