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

C13H9Cl2NO3 — CID 55183255

IUPAC6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(Oc2nc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C13H9Cl2NO3/c1-7-2-4-9(14)10(6-7)19-12-8(13(17)18)3-5-11(15)16-12/h2-6H,1H3,(H,17,18)
InChIKeyKKSHBEFJESMOQC-UHFFFAOYSA-N
MW298.12 g/mol
LogP4.19
Rot. Bonds3

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

6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid (PubChem CID 55183255) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
PubChem CID55183255
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(Oc2nc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C13H9Cl2NO3/c1-7-2-4-9(14)10(6-7)19-12-8(13(17)18)3-5-11(15)16-12/h2-6H,1H3,(H,17,18)
InChIKeyKKSHBEFJESMOQC-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

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376771
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376889
3-(2-chloro-5-methylphenoxy)pyridazine-4-carboxylic acid
CID 80516980
6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630
2-bromo-4-(2-chloro-5-methylphenoxy)benzoic acid
CID 107282496
6-chloro-2-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376747
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
CID 55185255
2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid (CID 55183255) is 6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid is Cc1ccc(Cl)c(Oc2nc(Cl)ccc2C(=O)O)c1.
What is the InChIKey of 6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is KKSHBEFJESMOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-7-2-4-9(14)10(6-7)19-12-8(13(17)18)3-5-11(15)16-12/h2-6H,1H3,(H,17,18).
What are the key properties of 6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid?
6-chloro-2-(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 6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 55183255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).