3-(4-chlorophenoxy)pyridine-4-carboxylic acid

C12H8ClNO3 — CID 114288873

IUPAC3-(4-chlorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClNO3/c13-8-1-3-9(4-2-8)17-11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16)
InChIKeyAOZPLXMAQUVCPX-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.23
Rot. Bonds3

About 3-(4-chlorophenoxy)pyridine-4-carboxylic acid

3-(4-chlorophenoxy)pyridine-4-carboxylic acid (PubChem CID 114288873) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenoxy)pyridine-4-carboxylic acid
PubChem CID114288873
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name3-(4-chlorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClNO3/c13-8-1-3-9(4-2-8)17-11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16)
InChIKeyAOZPLXMAQUVCPX-UHFFFAOYSA-N
XLogP3.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
3-(4-acetylphenoxy)pyridine-4-carboxylic acid
CID 81443544
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
CID 114288885
3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
CID 81443465
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 104629426
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
3-(6-chloropyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 114335580
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523
3-[(4-chloro-1,3-thiazol-2-yl)oxy]pyridine-4-carboxylic acid
CID 83156671
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
3-(2-bromophenoxy)pyridine-4-carboxylic acid
CID 114288896
3-(4-chlorophenoxy)-4-nitropyridine
CID 21106908

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-chlorophenoxy)pyridine-4-carboxylic acid (CID 114288873) is 3-(4-chlorophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenoxy)pyridine-4-carboxylic acid is O=C(O)c1ccncc1Oc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)pyridine-4-carboxylic acid?
The InChIKey is AOZPLXMAQUVCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-8-1-3-9(4-2-8)17-11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16).
What are the key properties of 3-(4-chlorophenoxy)pyridine-4-carboxylic acid?
3-(4-chlorophenoxy)pyridine-4-carboxylic acid has a molecular weight of 249.65 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114288873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).