3-methyl-6-oxo-1H-pyridine-2-carbonitrile

C7H6N2O — CID 118184541

IUPAC3-methyl-6-oxo-1H-pyridine-2-carbonitrile
SMILESCc1ccc(=O)[nH]c1C#N
InChIInChI=1S/C7H6N2O/c1-5-2-3-7(10)9-6(5)4-8/h2-3H,1H3,(H,9,10)
InChIKeyPEJONBIYEIVLSX-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.56
Rot. Bonds

About 3-methyl-6-oxo-1H-pyridine-2-carbonitrile

3-methyl-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 118184541) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 3-methyl-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID118184541
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name3-methyl-6-oxo-1H-pyridine-2-carbonitrile
SMILESCc1ccc(=O)[nH]c1C#N
InChIInChI=1S/C7H6N2O/c1-5-2-3-7(10)9-6(5)4-8/h2-3H,1H3,(H,9,10)
InChIKeyPEJONBIYEIVLSX-UHFFFAOYSA-N
XLogP0.56
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-methyl-6-oxo-1H-pyridine-2-carbonitrile (CID 118184541) is 3-methyl-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-methyl-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-methyl-6-oxo-1H-pyridine-2-carbonitrile is Cc1ccc(=O)[nH]c1C#N.
What is the InChIKey of 3-methyl-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is PEJONBIYEIVLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-5-2-3-7(10)9-6(5)4-8/h2-3H,1H3,(H,9,10).
What are the key properties of 3-methyl-6-oxo-1H-pyridine-2-carbonitrile?
3-methyl-6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 118184541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).