5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile

C13H7FN2O2 — CID 84819783

IUPAC5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2ccc(C=O)cc2F)c1
InChIInChI=1S/C13H7FN2O2/c14-12-4-9(8-17)1-2-13(12)18-11-3-10(5-15)6-16-7-11/h1-4,6-8H
InChIKeyMKTIBTMPXRXZBN-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.70
Rot. Bonds3

About 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile

5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile (PubChem CID 84819783) has the molecular formula C13H7FN2O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile
PubChem CID84819783
Molecular FormulaC13H7FN2O2
Molecular Weight242.21 g/mol
Exact Mass242.05
IUPAC Name5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2ccc(C=O)cc2F)c1
InChIInChI=1S/C13H7FN2O2/c14-12-4-9(8-17)1-2-13(12)18-11-3-10(5-15)6-16-7-11/h1-4,6-8H
InChIKeyMKTIBTMPXRXZBN-UHFFFAOYSA-N
XLogP2.70
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-fluoro-4-formylphenoxy)pyridine-3-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 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile (CID 84819783) is 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile is N#Cc1cncc(Oc2ccc(C=O)cc2F)c1.
What is the InChIKey of 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile?
The InChIKey is MKTIBTMPXRXZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O2/c14-12-4-9(8-17)1-2-13(12)18-11-3-10(5-15)6-16-7-11/h1-4,6-8H.
What are the key properties of 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile?
5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile has a molecular weight of 242.21 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-formylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 84819783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).