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

C15H14ClNO4 — CID 107063396

IUPAC3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
SMILESCCCOc1ccc(Oc2nccc(C(=O)O)c2Cl)cc1
InChIInChI=1S/C15H14ClNO4/c1-2-9-20-10-3-5-11(6-4-10)21-14-13(16)12(15(18)19)7-8-17-14/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyFOBDTIAJMHBDKX-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.01
Rot. Bonds6

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

3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid (PubChem CID 107063396) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
PubChem CID107063396
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
SMILESCCCOc1ccc(Oc2nccc(C(=O)O)c2Cl)cc1
InChIInChI=1S/C15H14ClNO4/c1-2-9-20-10-3-5-11(6-4-10)21-14-13(16)12(15(18)19)7-8-17-14/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyFOBDTIAJMHBDKX-UHFFFAOYSA-N
XLogP4.01
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-(4-propoxyphenoxy)pyridine-4-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

Related Compounds

3-chloro-2-(2-hydroxyethoxy)pyridine-4-carboxylic acid
CID 107063382
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
CID 107063434
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063252
3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
CID 106877873
2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
CID 107672662

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid (CID 107063396) is 3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid is CCCOc1ccc(Oc2nccc(C(=O)O)c2Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid?
The InChIKey is FOBDTIAJMHBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-2-9-20-10-3-5-11(6-4-10)21-14-13(16)12(15(18)19)7-8-17-14/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid?
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 107063396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).