2-(2-formyl-3-pyridinyl)acetonitrile

C8H6N2O — CID 123918433

IUPAC2-(2-formyl-3-pyridinyl)acetonitrile
SMILESN#CCc1cccnc1C=O
InChIInChI=1S/C8H6N2O/c9-4-3-7-2-1-5-10-8(7)6-11/h1-2,5-6H,3H2
InChIKeyVEXDECSOJRGPSY-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.96
Rot. Bonds2

About 2-(2-formyl-3-pyridinyl)acetonitrile

2-(2-formyl-3-pyridinyl)acetonitrile (PubChem CID 123918433) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-(2-formyl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-formyl-3-pyridinyl)acetonitrile
PubChem CID123918433
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2-(2-formyl-3-pyridinyl)acetonitrile
SMILESN#CCc1cccnc1C=O
InChIInChI=1S/C8H6N2O/c9-4-3-7-2-1-5-10-8(7)6-11/h1-2,5-6H,3H2
InChIKeyVEXDECSOJRGPSY-UHFFFAOYSA-N
XLogP0.96
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-formyl-3-pyridinyl)acetonitrile (CID 123918433) is 2-(2-formyl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-formyl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-formyl-3-pyridinyl)acetonitrile is N#CCc1cccnc1C=O.
What is the InChIKey of 2-(2-formyl-3-pyridinyl)acetonitrile?
The InChIKey is VEXDECSOJRGPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c9-4-3-7-2-1-5-10-8(7)6-11/h1-2,5-6H,3H2.
What are the key properties of 2-(2-formyl-3-pyridinyl)acetonitrile?
2-(2-formyl-3-pyridinyl)acetonitrile has a molecular weight of 146.15 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 123918433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).