2-(4-oxo-1H-pyridin-2-yl)acetonitrile

C7H6N2O — CID 84762386

IUPAC2-(4-oxo-1H-pyridin-2-yl)acetonitrile
SMILESN#CCc1cc(=O)cc[nH]1
InChIInChI=1S/C7H6N2O/c8-3-1-6-5-7(10)2-4-9-6/h2,4-5H,1H2,(H,9,10)
InChIKeyCFHFHTDIDFXZFN-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.44
Rot. Bonds1

About 2-(4-oxo-1H-pyridin-2-yl)acetonitrile

2-(4-oxo-1H-pyridin-2-yl)acetonitrile (PubChem CID 84762386) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-(4-oxo-1H-pyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-oxo-1H-pyridin-2-yl)acetonitrile
PubChem CID84762386
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2-(4-oxo-1H-pyridin-2-yl)acetonitrile
SMILESN#CCc1cc(=O)cc[nH]1
InChIInChI=1S/C7H6N2O/c8-3-1-6-5-7(10)2-4-9-6/h2,4-5H,1H2,(H,9,10)
InChIKeyCFHFHTDIDFXZFN-UHFFFAOYSA-N
XLogP0.44
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1H-pyridin-2-yl)acetonitrile?
The IUPAC name of 2-(4-oxo-1H-pyridin-2-yl)acetonitrile (CID 84762386) is 2-(4-oxo-1H-pyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-oxo-1H-pyridin-2-yl)acetonitrile?
The canonical SMILES for 2-(4-oxo-1H-pyridin-2-yl)acetonitrile is N#CCc1cc(=O)cc[nH]1.
What is the InChIKey of 2-(4-oxo-1H-pyridin-2-yl)acetonitrile?
The InChIKey is CFHFHTDIDFXZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-3-1-6-5-7(10)2-4-9-6/h2,4-5H,1H2,(H,9,10).
What are the key properties of 2-(4-oxo-1H-pyridin-2-yl)acetonitrile?
2-(4-oxo-1H-pyridin-2-yl)acetonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1H-pyridin-2-yl)acetonitrile is sourced from PubChem (CID 84762386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).