6-formylpyridine-2-carbonitrile

C7H4N2O — CID 2748338

IUPAC6-formylpyridine-2-carbonitrile
SMILESN#Cc1cccc(C=O)n1
InChIInChI=1S/C7H4N2O/c8-4-6-2-1-3-7(5-10)9-6/h1-3,5H
InChIKeyZRXBMWPJUPMZCZ-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.77
Rot. Bonds1

About 6-formylpyridine-2-carbonitrile

6-formylpyridine-2-carbonitrile (PubChem CID 2748338) has the molecular formula C7H4N2O and a molecular weight of 132.12 g/mol. Its IUPAC name is 6-formylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-formylpyridine-2-carbonitrile
PubChem CID2748338
Molecular FormulaC7H4N2O
Molecular Weight132.12 g/mol
Exact Mass132.03
IUPAC Name6-formylpyridine-2-carbonitrile
SMILESN#Cc1cccc(C=O)n1
InChIInChI=1S/C7H4N2O/c8-4-6-2-1-3-7(5-10)9-6/h1-3,5H
InChIKeyZRXBMWPJUPMZCZ-UHFFFAOYSA-N
XLogP0.77
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.77
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 6-formylpyridine-2-carbonitrile?
The IUPAC name of 6-formylpyridine-2-carbonitrile (CID 2748338) is 6-formylpyridine-2-carbonitrile.
What is the SMILES notation for 6-formylpyridine-2-carbonitrile?
The canonical SMILES for 6-formylpyridine-2-carbonitrile is N#Cc1cccc(C=O)n1.
What is the InChIKey of 6-formylpyridine-2-carbonitrile?
The InChIKey is ZRXBMWPJUPMZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O/c8-4-6-2-1-3-7(5-10)9-6/h1-3,5H.
What are the key properties of 6-formylpyridine-2-carbonitrile?
6-formylpyridine-2-carbonitrile has a molecular weight of 132.12 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formylpyridine-2-carbonitrile is sourced from PubChem (CID 2748338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).