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

C7H6N2O — CID 53487792

IUPAC5-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c[nH]c1=O
InChIInChI=1S/C7H6N2O/c1-5-2-6(3-8)4-9-7(5)10/h2,4H,1H3,(H,9,10)
InChIKeyOBYCXDBNDBOQQU-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.56
Rot. Bonds

About 5-methyl-6-oxo-1H-pyridine-3-carbonitrile

5-methyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 53487792) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-methyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID53487792
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name5-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c[nH]c1=O
InChIInChI=1S/C7H6N2O/c1-5-2-6(3-8)4-9-7(5)10/h2,4H,1H3,(H,9,10)
InChIKeyOBYCXDBNDBOQQU-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 5-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-6-oxo-1H-pyridine-3-carbonitrile (CID 53487792) is 5-methyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-6-oxo-1H-pyridine-3-carbonitrile is Cc1cc(C#N)c[nH]c1=O.
What is the InChIKey of 5-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is OBYCXDBNDBOQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-5-2-6(3-8)4-9-7(5)10/h2,4H,1H3,(H,9,10).
What are the key properties of 5-methyl-6-oxo-1H-pyridine-3-carbonitrile?
5-methyl-6-oxo-1H-pyridine-3-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 5-methyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 53487792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).