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

C12H7Br2NO3 — CID 102823683

IUPAC3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Br)cc(Oc2cncc(Br)c2)c1
InChIInChI=1S/C12H7Br2NO3/c13-8-1-7(12(16)17)2-10(3-8)18-11-4-9(14)5-15-6-11/h1-6H,(H,16,17)
InChIKeyHMOLACHPCVYJEK-UHFFFAOYSA-N
MW373.00 g/mol
LogP4.10
Rot. Bonds3

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

3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid (PubChem CID 102823683) has the molecular formula C12H7Br2NO3 and a molecular weight of 373.00 g/mol. Its IUPAC name is 3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
PubChem CID102823683
Molecular FormulaC12H7Br2NO3
Molecular Weight373.00 g/mol
Exact Mass370.88
IUPAC Name3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Br)cc(Oc2cncc(Br)c2)c1
InChIInChI=1S/C12H7Br2NO3/c13-8-1-7(12(16)17)2-10(3-8)18-11-4-9(14)5-15-6-11/h1-6H,(H,16,17)
InChIKeyHMOLACHPCVYJEK-UHFFFAOYSA-N
XLogP4.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.00
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-[(5-bromo-3-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

3-bromo-5-(4-bromophenoxy)benzoic acid
CID 102823551
3-bromo-5-phenoxybenzoic acid
CID 102823557
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248
2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid
CID 107554945
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
3-[(5-bromo-3-pyridinyl)oxy]-4-nitrobenzoic acid
CID 82781366
5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
CID 104795977
3-bromo-5-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoic acid
CID 102823704
3-bromo-5-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 102823596
5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 113469480
3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid
CID 107286518
3-chloro-5-pyrimidin-5-yloxybenzoic acid
CID 67051407

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid?
The IUPAC name of 3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid (CID 102823683) is 3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid is O=C(O)c1cc(Br)cc(Oc2cncc(Br)c2)c1.
What is the InChIKey of 3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid?
The InChIKey is HMOLACHPCVYJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2NO3/c13-8-1-7(12(16)17)2-10(3-8)18-11-4-9(14)5-15-6-11/h1-6H,(H,16,17).
What are the key properties of 3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid?
3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid has a molecular weight of 373.00 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 102823683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).