2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile

C13H9FN2O — CID 10775701

IUPAC2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccccn2)cc1F
InChIInChI=1S/C13H9FN2O/c14-13-7-12(5-4-10(13)8-15)17-9-11-3-1-2-6-16-11/h1-7H,9H2
InChIKeyCKRDNXCQOYHVQL-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.67
Rot. Bonds3

About 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile

2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile (PubChem CID 10775701) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile
PubChem CID10775701
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccccn2)cc1F
InChIInChI=1S/C13H9FN2O/c14-13-7-12(5-4-10(13)8-15)17-9-11-3-1-2-6-16-11/h1-7H,9H2
InChIKeyCKRDNXCQOYHVQL-UHFFFAOYSA-N
XLogP2.67
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile 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 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile?
The IUPAC name of 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile (CID 10775701) is 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile?
The canonical SMILES for 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile is N#Cc1ccc(OCc2ccccn2)cc1F.
What is the InChIKey of 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile?
The InChIKey is CKRDNXCQOYHVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-13-7-12(5-4-10(13)8-15)17-9-11-3-1-2-6-16-11/h1-7H,9H2.
What are the key properties of 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile?
2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile has a molecular weight of 228.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(pyridin-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 10775701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).