5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid

C13H9Cl2NO3 — CID 43364384

IUPAC5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(Oc2ncc(C(=O)O)cc2Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c1-7-2-3-9(14)11(4-7)19-12-10(15)5-8(6-16-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyXDRHUKYXRFSFBM-UHFFFAOYSA-N
MW298.12 g/mol
LogP4.19
Rot. Bonds3

About 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid

5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid (PubChem CID 43364384) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
PubChem CID43364384
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(Oc2ncc(C(=O)O)cc2Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c1-7-2-3-9(14)11(4-7)19-12-10(15)5-8(6-16-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyXDRHUKYXRFSFBM-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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Related Compounds

5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-chloro-6-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 114046386
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
CID 63537019
5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid
CID 138716369
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81341368
3-(2-chloro-5-methylphenoxy)pyridazine-4-carboxylic acid
CID 80516980

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid (CID 43364384) is 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid is Cc1ccc(Cl)c(Oc2ncc(C(=O)O)cc2Cl)c1.
What is the InChIKey of 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is XDRHUKYXRFSFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-7-2-3-9(14)11(4-7)19-12-10(15)5-8(6-16-12)13(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid?
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-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 5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 43364384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).