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

C7H6N2O — CID 940260

IUPAC2-(2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1ccccc1=O
InChIInChI=1S/C7H6N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,6H2
InChIKeyDWDWZOINPDAWBD-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.37
Rot. Bonds1

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

2-(2-oxo-1-pyridinyl)acetonitrile (PubChem CID 940260) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)acetonitrile
PubChem CID940260
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2-(2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1ccccc1=O
InChIInChI=1S/C7H6N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,6H2
InChIKeyDWDWZOINPDAWBD-UHFFFAOYSA-N
XLogP0.37
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-oxo-1-pyridinyl)acetonitrile (CID 940260) is 2-(2-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)acetonitrile is N#CCn1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)acetonitrile?
The InChIKey is DWDWZOINPDAWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,6H2.
What are the key properties of 2-(2-oxo-1-pyridinyl)acetonitrile?
2-(2-oxo-1-pyridinyl)acetonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 940260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).