5-(4-bromophenoxy)pyridine-2-carboxylic acid

C12H8BrNO3 — CID 23335277

IUPAC5-(4-bromophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Br)cc2)cn1
InChIInChI=1S/C12H8BrNO3/c13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10/h1-7H,(H,15,16)
InChIKeyXUYKNAKAUZALEJ-UHFFFAOYSA-N
MW294.10 g/mol
LogP3.33
Rot. Bonds3

About 5-(4-bromophenoxy)pyridine-2-carboxylic acid

5-(4-bromophenoxy)pyridine-2-carboxylic acid (PubChem CID 23335277) has the molecular formula C12H8BrNO3 and a molecular weight of 294.10 g/mol. Its IUPAC name is 5-(4-bromophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromophenoxy)pyridine-2-carboxylic acid
PubChem CID23335277
Molecular FormulaC12H8BrNO3
Molecular Weight294.10 g/mol
Exact Mass292.97
IUPAC Name5-(4-bromophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Br)cc2)cn1
InChIInChI=1S/C12H8BrNO3/c13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10/h1-7H,(H,15,16)
InChIKeyXUYKNAKAUZALEJ-UHFFFAOYSA-N
XLogP3.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenoxy)pyridine-2-carboxylic 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-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane
CID 143633946
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747023
methyl 5-(4-methylphenoxy)pyridine-2-carboxylate
CID 59966219
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
5-(3-carbamoyl-5-methoxyphenoxy)pyridine-2-carboxylic acid
CID 103566619
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
CID 170712986
5-(4-bromophenoxy)-2-chloropyrimidine
CID 117224632
5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid
CID 79794866

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-bromophenoxy)pyridine-2-carboxylic acid (CID 23335277) is 5-(4-bromophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-bromophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-bromophenoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(Oc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-(4-bromophenoxy)pyridine-2-carboxylic acid?
The InChIKey is XUYKNAKAUZALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO3/c13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10/h1-7H,(H,15,16).
What are the key properties of 5-(4-bromophenoxy)pyridine-2-carboxylic acid?
5-(4-bromophenoxy)pyridine-2-carboxylic acid has a molecular weight of 294.10 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 23335277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).