4-pyridin-2-yloxybenzoic acid

C12H9NO3 — CID 22262052

IUPAC4-pyridin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C12H9NO3/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)
InChIKeyGKSKQZLHPWBLJL-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.57
Rot. Bonds3

About 4-pyridin-2-yloxybenzoic acid

4-pyridin-2-yloxybenzoic acid (PubChem CID 22262052) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-pyridin-2-yloxybenzoic acid.

Molecular Properties

Compound Name4-pyridin-2-yloxybenzoic acid
PubChem CID22262052
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name4-pyridin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C12H9NO3/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)
InChIKeyGKSKQZLHPWBLJL-UHFFFAOYSA-N
XLogP2.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pyridin-2-yloxybenzoic 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

Pranoprofen
CID 4888
2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
CID 215891
Furegrelate
CID 3437
2-Phenoxynicotinic acid
CID 123450
(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methylphenyl pyridine-3-carboxylate
CID 735961
Phenyl 3-pyridinecarboxylate
CID 77018
4-Methoxy-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 3162138
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
2-Methylphenyl nicotinate
CID 829373
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yloxybenzoic acid?
The IUPAC name of 4-pyridin-2-yloxybenzoic acid (CID 22262052) is 4-pyridin-2-yloxybenzoic acid.
What is the SMILES notation for 4-pyridin-2-yloxybenzoic acid?
The canonical SMILES for 4-pyridin-2-yloxybenzoic acid is O=C(O)c1ccc(Oc2ccccn2)cc1.
What is the InChIKey of 4-pyridin-2-yloxybenzoic acid?
The InChIKey is GKSKQZLHPWBLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15).
What are the key properties of 4-pyridin-2-yloxybenzoic acid?
4-pyridin-2-yloxybenzoic acid has a molecular weight of 215.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yloxybenzoic acid is sourced from PubChem (CID 22262052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).