2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid

C13H10ClNO4 — CID 67533760

IUPAC2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(Cl)ccc1Oc1ncccc1C(=O)O
InChIInChI=1S/C13H10ClNO4/c1-18-11-7-8(14)4-5-10(11)19-12-9(13(16)17)3-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyQZYXDLMPASPPNN-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid

2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid (PubChem CID 67533760) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
PubChem CID67533760
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(Cl)ccc1Oc1ncccc1C(=O)O
InChIInChI=1S/C13H10ClNO4/c1-18-11-7-8(14)4-5-10(11)19-12-9(13(16)17)3-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyQZYXDLMPASPPNN-UHFFFAOYSA-N
XLogP3.23
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid (CID 67533760) is 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid is COc1cc(Cl)ccc1Oc1ncccc1C(=O)O.
What is the InChIKey of 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid?
The InChIKey is QZYXDLMPASPPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-18-11-7-8(14)4-5-10(11)19-12-9(13(16)17)3-2-6-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid?
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 67533760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).