5-formylpyridine-2-carbonitrile

C7H4N2O — CID 10986263

IUPAC5-formylpyridine-2-carbonitrile
SMILESN#Cc1ccc(C=O)cn1
InChIInChI=1S/C7H4N2O/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4-5H
InChIKeyZYOAZOZQOTWMEE-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.77
Rot. Bonds1

About 5-formylpyridine-2-carbonitrile

5-formylpyridine-2-carbonitrile (PubChem CID 10986263) has the molecular formula C7H4N2O and a molecular weight of 132.12 g/mol. Its IUPAC name is 5-formylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-formylpyridine-2-carbonitrile
PubChem CID10986263
Molecular FormulaC7H4N2O
Molecular Weight132.12 g/mol
Exact Mass132.03
IUPAC Name5-formylpyridine-2-carbonitrile
SMILESN#Cc1ccc(C=O)cn1
InChIInChI=1S/C7H4N2O/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4-5H
InChIKeyZYOAZOZQOTWMEE-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 5-formylpyridine-2-carbonitrile?
The IUPAC name of 5-formylpyridine-2-carbonitrile (CID 10986263) is 5-formylpyridine-2-carbonitrile.
What is the SMILES notation for 5-formylpyridine-2-carbonitrile?
The canonical SMILES for 5-formylpyridine-2-carbonitrile is N#Cc1ccc(C=O)cn1.
What is the InChIKey of 5-formylpyridine-2-carbonitrile?
The InChIKey is ZYOAZOZQOTWMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4-5H.
What are the key properties of 5-formylpyridine-2-carbonitrile?
5-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 5-formylpyridine-2-carbonitrile is sourced from PubChem (CID 10986263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).