2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid

C13H9BrClNO3 — CID 43343579

IUPAC2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
SMILESCc1ccc(Oc2cc(C(=O)O)cc(Cl)n2)c(Br)c1
InChIInChI=1S/C13H9BrClNO3/c1-7-2-3-10(9(14)4-7)19-12-6-8(13(17)18)5-11(15)16-12/h2-6H,1H3,(H,17,18)
InChIKeyOHASMYYJXZMISO-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.30
Rot. Bonds3

About 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid

2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid (PubChem CID 43343579) has the molecular formula C13H9BrClNO3 and a molecular weight of 342.58 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
PubChem CID43343579
Molecular FormulaC13H9BrClNO3
Molecular Weight342.58 g/mol
Exact Mass340.95
IUPAC Name2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
SMILESCc1ccc(Oc2cc(C(=O)O)cc(Cl)n2)c(Br)c1
InChIInChI=1S/C13H9BrClNO3/c1-7-2-3-10(9(14)4-7)19-12-6-8(13(17)18)5-11(15)16-12/h2-6H,1H3,(H,17,18)
InChIKeyOHASMYYJXZMISO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-methylphenoxy)-3,5-difluorobenzoic acid
CID 63461641
2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid
CID 43479681
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid
CID 63461818
2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid
CID 63269240
3-(2-bromo-4-methylphenoxy)benzoic acid
CID 63941894
2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61031154
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
CID 104706888
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
5-amino-2-(2-bromo-4-methylphenoxy)benzoic acid
CID 54888290

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid (CID 43343579) is 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid is Cc1ccc(Oc2cc(C(=O)O)cc(Cl)n2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid?
The InChIKey is OHASMYYJXZMISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3/c1-7-2-3-10(9(14)4-7)19-12-6-8(13(17)18)5-11(15)16-12/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid?
2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-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 2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 43343579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).