2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid

C15H9BrFNO3 — CID 107905982

IUPAC2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
SMILESN#Cc1ccc(F)cc1COc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C15H9BrFNO3/c16-14-4-3-12(6-13(14)15(19)20)21-8-10-5-11(17)2-1-9(10)7-18/h1-6H,8H2,(H,19,20)
InChIKeyUVEFZOZCEPBBMX-UHFFFAOYSA-N
MW350.14 g/mol
LogP3.74
Rot. Bonds4

About 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid

2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid (PubChem CID 107905982) has the molecular formula C15H9BrFNO3 and a molecular weight of 350.14 g/mol. Its IUPAC name is 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
PubChem CID107905982
Molecular FormulaC15H9BrFNO3
Molecular Weight350.14 g/mol
Exact Mass348.97
IUPAC Name2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
SMILESN#Cc1ccc(F)cc1COc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C15H9BrFNO3/c16-14-4-3-12(6-13(14)15(19)20)21-8-10-5-11(17)2-1-9(10)7-18/h1-6H,8H2,(H,19,20)
InChIKeyUVEFZOZCEPBBMX-UHFFFAOYSA-N
XLogP3.74
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid 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

2-[[4-bromo-3-(bromomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906263
4-bromo-2-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
CID 64768322
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 107671314
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 104704645
2-(1,3-benzodioxol-5-yloxymethyl)-4-fluorobenzonitrile
CID 103759935
4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile
CID 114014305
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
4-fluoro-2-[[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]methyl]benzonitrile
CID 107906027
2-[[4-(ethylaminomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902677
2-chloro-6-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
CID 107905985
2-[[4-(1-aminoethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid (CID 107905982) is 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid is N#Cc1ccc(F)cc1COc1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid?
The InChIKey is UVEFZOZCEPBBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO3/c16-14-4-3-12(6-13(14)15(19)20)21-8-10-5-11(17)2-1-9(10)7-18/h1-6H,8H2,(H,19,20).
What are the key properties of 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid?
2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid has a molecular weight of 350.14 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 107905982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).