2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile

C13H7FN2O2 — CID 146387471

IUPAC2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile
SMILESN#Cc1cc(C=O)cnc1Oc1cccc(F)c1
InChIInChI=1S/C13H7FN2O2/c14-11-2-1-3-12(5-11)18-13-10(6-15)4-9(8-17)7-16-13/h1-5,7-8H
InChIKeyXHJQHXSILLIBJL-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile

2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile (PubChem CID 146387471) has the molecular formula C13H7FN2O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile
PubChem CID146387471
Molecular FormulaC13H7FN2O2
Molecular Weight242.21 g/mol
Exact Mass242.05
IUPAC Name2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile
SMILESN#Cc1cc(C=O)cnc1Oc1cccc(F)c1
InChIInChI=1S/C13H7FN2O2/c14-11-2-1-3-12(5-11)18-13-10(6-15)4-9(8-17)7-16-13/h1-5,7-8H
InChIKeyXHJQHXSILLIBJL-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile (CID 146387471) is 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile is N#Cc1cc(C=O)cnc1Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile?
The InChIKey is XHJQHXSILLIBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O2/c14-11-2-1-3-12(5-11)18-13-10(6-15)4-9(8-17)7-16-13/h1-5,7-8H.
What are the key properties of 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile?
2-(3-fluorophenoxy)-5-formylpyridine-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 2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile is sourced from PubChem (CID 146387471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).