2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile

C12H9N3O — CID 172714087

IUPAC2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile
SMILESN#CCc1cccn(-c2ccncc2)c1=O
InChIInChI=1S/C12H9N3O/c13-6-3-10-2-1-9-15(12(10)16)11-4-7-14-8-5-11/h1-2,4-5,7-9H,3H2
InChIKeyFQADJEPDGXOILJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.30
Rot. Bonds2

About 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile

2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile (PubChem CID 172714087) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile
PubChem CID172714087
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile
SMILESN#CCc1cccn(-c2ccncc2)c1=O
InChIInChI=1S/C12H9N3O/c13-6-3-10-2-1-9-15(12(10)16)11-4-7-14-8-5-11/h1-2,4-5,7-9H,3H2
InChIKeyFQADJEPDGXOILJ-UHFFFAOYSA-N
XLogP1.30
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile (CID 172714087) is 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile is N#CCc1cccn(-c2ccncc2)c1=O.
What is the InChIKey of 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile?
The InChIKey is FQADJEPDGXOILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-6-3-10-2-1-9-15(12(10)16)11-4-7-14-8-5-11/h1-2,4-5,7-9H,3H2.
What are the key properties of 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile?
2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile has a molecular weight of 211.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 172714087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).