5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile

C14H9ClFNO — CID 64855399

IUPAC5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1ccc(F)c(Oc2ccc(Cl)cc2C#N)c1
InChIInChI=1S/C14H9ClFNO/c1-9-2-4-12(16)14(6-9)18-13-5-3-11(15)7-10(13)8-17/h2-7H,1H3
InChIKeyUOTSDJMPHVGWQQ-UHFFFAOYSA-N
MW261.68 g/mol
LogP4.45
Rot. Bonds2

About 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile

5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile (PubChem CID 64855399) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
PubChem CID64855399
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1ccc(F)c(Oc2ccc(Cl)cc2C#N)c1
InChIInChI=1S/C14H9ClFNO/c1-9-2-4-12(16)14(6-9)18-13-5-3-11(15)7-10(13)8-17/h2-7H,1H3
InChIKeyUOTSDJMPHVGWQQ-UHFFFAOYSA-N
XLogP4.45
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
CID 55232518
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
2-(4-amino-2,5-difluorophenoxy)-5-methylbenzonitrile
CID 107931379
2-(2-tert-butyl-5-methylphenoxy)-4-chlorobenzonitrile
CID 63513427
3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
CID 113269475
5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile
CID 63510537
5-amino-2-(2-chloro-4-methylphenoxy)benzonitrile
CID 62670401
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile?
The IUPAC name of 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile (CID 64855399) is 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile.
What is the SMILES notation for 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile?
The canonical SMILES for 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile is Cc1ccc(F)c(Oc2ccc(Cl)cc2C#N)c1.
What is the InChIKey of 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile?
The InChIKey is UOTSDJMPHVGWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c1-9-2-4-12(16)14(6-9)18-13-5-3-11(15)7-10(13)8-17/h2-7H,1H3.
What are the key properties of 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile?
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile has a molecular weight of 261.68 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile is sourced from PubChem (CID 64855399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).