4-bromo-2-pyridazin-3-yloxybenzoic acid

C11H7BrN2O3 — CID 62482256

IUPAC4-bromo-2-pyridazin-3-yloxybenzoic acid
SMILESO=C(O)c1ccc(Br)cc1Oc1cccnn1
InChIInChI=1S/C11H7BrN2O3/c12-7-3-4-8(11(15)16)9(6-7)17-10-2-1-5-13-14-10/h1-6H,(H,15,16)
InChIKeyCYJIJXCPGWQWQB-UHFFFAOYSA-N
MW295.09 g/mol
LogP2.73
Rot. Bonds3

About 4-bromo-2-pyridazin-3-yloxybenzoic acid

4-bromo-2-pyridazin-3-yloxybenzoic acid (PubChem CID 62482256) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 4-bromo-2-pyridazin-3-yloxybenzoic acid.

Molecular Properties

Compound Name4-bromo-2-pyridazin-3-yloxybenzoic acid
PubChem CID62482256
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name4-bromo-2-pyridazin-3-yloxybenzoic acid
SMILESO=C(O)c1ccc(Br)cc1Oc1cccnn1
InChIInChI=1S/C11H7BrN2O3/c12-7-3-4-8(11(15)16)9(6-7)17-10-2-1-5-13-14-10/h1-6H,(H,15,16)
InChIKeyCYJIJXCPGWQWQB-UHFFFAOYSA-N
XLogP2.73
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-pyridazin-3-yloxybenzoic 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

5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
5-fluoro-2-pyridazin-3-yloxybenzoic acid
CID 115298215
4-bromo-2-quinoxalin-2-yloxybenzoic acid
CID 62360418
4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853
4-bromo-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649333
4-bromo-2-(5-bromo-2-cyanophenoxy)benzoic acid
CID 114907004
4-bromo-2-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 62683663
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
CID 43364863
4-bromo-2-(2-propan-2-ylphenoxy)benzoic acid
CID 43364865
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
4-bromo-2-quinolin-3-yloxybenzoic acid
CID 107387489

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-pyridazin-3-yloxybenzoic acid?
The IUPAC name of 4-bromo-2-pyridazin-3-yloxybenzoic acid (CID 62482256) is 4-bromo-2-pyridazin-3-yloxybenzoic acid.
What is the SMILES notation for 4-bromo-2-pyridazin-3-yloxybenzoic acid?
The canonical SMILES for 4-bromo-2-pyridazin-3-yloxybenzoic acid is O=C(O)c1ccc(Br)cc1Oc1cccnn1.
What is the InChIKey of 4-bromo-2-pyridazin-3-yloxybenzoic acid?
The InChIKey is CYJIJXCPGWQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-7-3-4-8(11(15)16)9(6-7)17-10-2-1-5-13-14-10/h1-6H,(H,15,16).
What are the key properties of 4-bromo-2-pyridazin-3-yloxybenzoic acid?
4-bromo-2-pyridazin-3-yloxybenzoic acid has a molecular weight of 295.09 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-pyridazin-3-yloxybenzoic acid is sourced from PubChem (CID 62482256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).