5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid

C13H9Br2NO3 — CID 107730186

IUPAC5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid
SMILESCc1cnc(Oc2ccc(Br)cc2C(=O)O)c(Br)c1
InChIInChI=1S/C13H9Br2NO3/c1-7-4-10(15)12(16-6-7)19-11-3-2-8(14)5-9(11)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyWXPKHXCCOFVJPT-UHFFFAOYSA-N
MW387.03 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid

5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid (PubChem CID 107730186) has the molecular formula C13H9Br2NO3 and a molecular weight of 387.03 g/mol. Its IUPAC name is 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid
PubChem CID107730186
Molecular FormulaC13H9Br2NO3
Molecular Weight387.03 g/mol
Exact Mass384.89
IUPAC Name5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid
SMILESCc1cnc(Oc2ccc(Br)cc2C(=O)O)c(Br)c1
InChIInChI=1S/C13H9Br2NO3/c1-7-4-10(15)12(16-6-7)19-11-3-2-8(14)5-9(11)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyWXPKHXCCOFVJPT-UHFFFAOYSA-N
XLogP4.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.03
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]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-[(3-bromo-5-methyl-2-pyridinyl)oxy]-4-chlorobenzoic acid
CID 105368501
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 107730175
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenol
CID 105367477
2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
CID 114838080
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
5-bromo-2-(2,3,6-trimethylphenoxy)benzoic acid
CID 114896137
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
5-bromo-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]benzoic acid
CID 104629704
5-bromo-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]benzoic acid
CID 107730235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid (CID 107730186) is 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid is Cc1cnc(Oc2ccc(Br)cc2C(=O)O)c(Br)c1.
What is the InChIKey of 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid?
The InChIKey is WXPKHXCCOFVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO3/c1-7-4-10(15)12(16-6-7)19-11-3-2-8(14)5-9(11)13(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid?
5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid has a molecular weight of 387.03 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 107730186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).