2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile

C8H8N2O — CID 60876234

IUPAC2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile
SMILESCc1cccc(=O)n1CC#N
InChIInChI=1S/C8H8N2O/c1-7-3-2-4-8(11)10(7)6-5-9/h2-4H,6H2,1H3
InChIKeyFGXNEJMNKPQXNL-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.68
Rot. Bonds1

About 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile

2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile (PubChem CID 60876234) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile
PubChem CID60876234
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile
SMILESCc1cccc(=O)n1CC#N
InChIInChI=1S/C8H8N2O/c1-7-3-2-4-8(11)10(7)6-5-9/h2-4H,6H2,1H3
InChIKeyFGXNEJMNKPQXNL-UHFFFAOYSA-N
XLogP0.68
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile (CID 60876234) is 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile is Cc1cccc(=O)n1CC#N.
What is the InChIKey of 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile?
The InChIKey is FGXNEJMNKPQXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-7-3-2-4-8(11)10(7)6-5-9/h2-4H,6H2,1H3.
What are the key properties of 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile?
2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile has a molecular weight of 148.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 60876234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).