2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid

C14H7BrFNO3 — CID 82801775

IUPAC2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid
SMILESN#Cc1ccc(Oc2ccc(F)cc2C(=O)O)c(Br)c1
InChIInChI=1S/C14H7BrFNO3/c15-11-5-8(7-17)1-3-13(11)20-12-4-2-9(16)6-10(12)14(18)19/h1-6H,(H,18,19)
InChIKeyWLSWANPVHFLXAK-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid

2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid (PubChem CID 82801775) has the molecular formula C14H7BrFNO3 and a molecular weight of 336.12 g/mol. Its IUPAC name is 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid
PubChem CID82801775
Molecular FormulaC14H7BrFNO3
Molecular Weight336.12 g/mol
Exact Mass334.96
IUPAC Name2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid
SMILESN#Cc1ccc(Oc2ccc(F)cc2C(=O)O)c(Br)c1
InChIInChI=1S/C14H7BrFNO3/c15-11-5-8(7-17)1-3-13(11)20-12-4-2-9(16)6-10(12)14(18)19/h1-6H,(H,18,19)
InChIKeyWLSWANPVHFLXAK-UHFFFAOYSA-N
XLogP3.95
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(2,4-difluorophenoxy)benzonitrile
CID 82798545
2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 113281460
5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
CID 61395759
2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
CID 115298124
4-(2-bromo-4-fluorophenoxy)-3-nitrobenzonitrile
CID 34040057
3-bromo-4-(2-fluoro-3-methylphenoxy)benzonitrile
CID 107658057
5-bromo-2-(4-cyano-2,6-difluorophenoxy)benzoic acid
CID 107730249
3-bromo-4-(2-bromo-4-methylphenoxy)benzonitrile
CID 82798072
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
3-(2-bromo-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102817771
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
3-(2-bromo-4-cyanophenoxy)propanoic acid
CID 175668379

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid?
The IUPAC name of 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid (CID 82801775) is 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid?
The canonical SMILES for 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid is N#Cc1ccc(Oc2ccc(F)cc2C(=O)O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid?
The InChIKey is WLSWANPVHFLXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFNO3/c15-11-5-8(7-17)1-3-13(11)20-12-4-2-9(16)6-10(12)14(18)19/h1-6H,(H,18,19).
What are the key properties of 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid?
2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid has a molecular weight of 336.12 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid is sourced from PubChem (CID 82801775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).