2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid

C14H12BrNO3 — CID 107283603

IUPAC2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C14H12BrNO3/c1-8-3-4-11(15)7-12(8)19-13-6-10(14(17)18)5-9(2)16-13/h3-7H,1-2H3,(H,17,18)
InChIKeyMIXCVZAEVUWURJ-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.95
Rot. Bonds3

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

2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid (PubChem CID 107283603) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid
PubChem CID107283603
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C14H12BrNO3/c1-8-3-4-11(15)7-12(8)19-13-6-10(14(17)18)5-9(2)16-13/h3-7H,1-2H3,(H,17,18)
InChIKeyMIXCVZAEVUWURJ-UHFFFAOYSA-N
XLogP3.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid
CID 107286518
2-(2-fluoro-3-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107656799
1-[2-(5-bromo-2-methylphenoxy)-4-pyridinyl]ethanone
CID 107284744
2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid
CID 114264226
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
CID 107283694
4-(5-bromo-2-methylphenoxy)-2-methylpyrimidine-5-carboxylic acid
CID 114213953
2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013821
2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
CID 43343579
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63217042
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid (CID 107283603) is 2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(Oc2cc(Br)ccc2C)n1.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid?
The InChIKey is MIXCVZAEVUWURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-8-3-4-11(15)7-12(8)19-13-6-10(14(17)18)5-9(2)16-13/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid?
2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid has a molecular weight of 322.16 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 107283603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).