2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid

C13H9Cl2NO3 — CID 55107905

IUPAC2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H9Cl2NO3/c1-7-5-6-8(13(17)18)12(16-7)19-10-4-2-3-9(14)11(10)15/h2-6H,1H3,(H,17,18)
InChIKeyUETRTKNZUNOGOF-UHFFFAOYSA-N
MW298.12 g/mol
LogP4.19
Rot. Bonds3

About 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid

2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 55107905) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
PubChem CID55107905
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H9Cl2NO3/c1-7-5-6-8(13(17)18)12(16-7)19-10-4-2-3-9(14)11(10)15/h2-6H,1H3,(H,17,18)
InChIKeyUETRTKNZUNOGOF-UHFFFAOYSA-N
XLogP4.19
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid (CID 55107905) is 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Oc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is UETRTKNZUNOGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-7-5-6-8(13(17)18)12(16-7)19-10-4-2-3-9(14)11(10)15/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid?
2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid has a molecular weight of 298.12 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 55107905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).