4-formylnaphthalene-2-carbonitrile

C12H7NO — CID 86010099

IUPAC4-formylnaphthalene-2-carbonitrile
SMILESN#Cc1cc(C=O)c2ccccc2c1
InChIInChI=1S/C12H7NO/c13-7-9-5-10-3-1-2-4-12(10)11(6-9)8-14/h1-6,8H
InChIKeyZALWKPCVNVOLDI-UHFFFAOYSA-N
MW181.19 g/mol
LogP2.52
Rot. Bonds1

About 4-formylnaphthalene-2-carbonitrile

4-formylnaphthalene-2-carbonitrile (PubChem CID 86010099) has the molecular formula C12H7NO and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-formylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-formylnaphthalene-2-carbonitrile
PubChem CID86010099
Molecular FormulaC12H7NO
Molecular Weight181.19 g/mol
Exact Mass181.05
IUPAC Name4-formylnaphthalene-2-carbonitrile
SMILESN#Cc1cc(C=O)c2ccccc2c1
InChIInChI=1S/C12H7NO/c13-7-9-5-10-3-1-2-4-12(10)11(6-9)8-14/h1-6,8H
InChIKeyZALWKPCVNVOLDI-UHFFFAOYSA-N
XLogP2.52
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-formylnaphthalene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-formylnaphthalene-2-carbonitrile?
The IUPAC name of 4-formylnaphthalene-2-carbonitrile (CID 86010099) is 4-formylnaphthalene-2-carbonitrile.
What is the SMILES notation for 4-formylnaphthalene-2-carbonitrile?
The canonical SMILES for 4-formylnaphthalene-2-carbonitrile is N#Cc1cc(C=O)c2ccccc2c1.
What is the InChIKey of 4-formylnaphthalene-2-carbonitrile?
The InChIKey is ZALWKPCVNVOLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO/c13-7-9-5-10-3-1-2-4-12(10)11(6-9)8-14/h1-6,8H.
What are the key properties of 4-formylnaphthalene-2-carbonitrile?
4-formylnaphthalene-2-carbonitrile has a molecular weight of 181.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formylnaphthalene-2-carbonitrile is sourced from PubChem (CID 86010099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).