2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid

C13H9ClFNO3 — CID 114264226

IUPAC2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(Oc2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H9ClFNO3/c1-7-4-8(13(17)18)5-12(16-7)19-11-6-9(15)2-3-10(11)14/h2-6H,1H3,(H,17,18)
InChIKeyFVFUUSZSIJYMKA-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.67
Rot. Bonds3

About 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid

2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid (PubChem CID 114264226) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid
PubChem CID114264226
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(Oc2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H9ClFNO3/c1-7-4-8(13(17)18)5-12(16-7)19-11-6-9(15)2-3-10(11)14/h2-6H,1H3,(H,17,18)
InChIKeyFVFUUSZSIJYMKA-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107656799
2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid
CID 63269240
2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107283603
4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid
CID 114264294
2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid
CID 113378263
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
CID 43343579
2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid
CID 43479681
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107555050
2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
CID 102981534

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid (CID 114264226) is 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(Oc2cc(F)ccc2Cl)n1.
What is the InChIKey of 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid?
The InChIKey is FVFUUSZSIJYMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c1-7-4-8(13(17)18)5-12(16-7)19-11-6-9(15)2-3-10(11)14/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid?
2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 114264226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).