4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid

C13H9BrClNO3 — CID 81225762

IUPAC4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(Br)ccc2Cl)c(C(=O)O)cn1
InChIInChI=1S/C13H9BrClNO3/c1-7-4-11(9(6-16-7)13(17)18)19-12-5-8(14)2-3-10(12)15/h2-6H,1H3,(H,17,18)
InChIKeyQAVJNIDBZKWKSZ-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.30
Rot. Bonds3

About 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid

4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 81225762) has the molecular formula C13H9BrClNO3 and a molecular weight of 342.58 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
PubChem CID81225762
Molecular FormulaC13H9BrClNO3
Molecular Weight342.58 g/mol
Exact Mass340.95
IUPAC Name4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(Br)ccc2Cl)c(C(=O)O)cn1
InChIInChI=1S/C13H9BrClNO3/c1-7-4-11(9(6-16-7)13(17)18)19-12-5-8(14)2-3-10(12)15/h2-6H,1H3,(H,17,18)
InChIKeyQAVJNIDBZKWKSZ-UHFFFAOYSA-N
XLogP4.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-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

4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 115401714
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139
4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053475
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81251035
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
CID 103174497
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
CID 43364863
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
3-amino-2-(5-bromo-2-chlorophenoxy)benzoic acid
CID 112579858
4-(5-bromo-2-methylphenoxy)-2-methylpyrimidine-5-carboxylic acid
CID 114213953
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid (CID 81225762) is 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid is Cc1cc(Oc2cc(Br)ccc2Cl)c(C(=O)O)cn1.
What is the InChIKey of 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is QAVJNIDBZKWKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3/c1-7-4-11(9(6-16-7)13(17)18)19-12-5-8(14)2-3-10(12)15/h2-6H,1H3,(H,17,18).
What are the key properties of 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid?
4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid has a molecular weight of 342.58 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81225762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).