3-pyrimidin-2-yloxybenzoic acid

C11H8N2O3 — CID 2763560

IUPAC3-pyrimidin-2-yloxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C11H8N2O3/c14-10(15)8-3-1-4-9(7-8)16-11-12-5-2-6-13-11/h1-7H,(H,14,15)
InChIKeyHDKBPBOMOPYWKQ-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.97
Rot. Bonds3

About 3-pyrimidin-2-yloxybenzoic acid

3-pyrimidin-2-yloxybenzoic acid (PubChem CID 2763560) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-pyrimidin-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-pyrimidin-2-yloxybenzoic acid
PubChem CID2763560
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name3-pyrimidin-2-yloxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C11H8N2O3/c14-10(15)8-3-1-4-9(7-8)16-11-12-5-2-6-13-11/h1-7H,(H,14,15)
InChIKeyHDKBPBOMOPYWKQ-UHFFFAOYSA-N
XLogP1.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yloxybenzoic acid?
The IUPAC name of 3-pyrimidin-2-yloxybenzoic acid (CID 2763560) is 3-pyrimidin-2-yloxybenzoic acid.
What is the SMILES notation for 3-pyrimidin-2-yloxybenzoic acid?
The canonical SMILES for 3-pyrimidin-2-yloxybenzoic acid is O=C(O)c1cccc(Oc2ncccn2)c1.
What is the InChIKey of 3-pyrimidin-2-yloxybenzoic acid?
The InChIKey is HDKBPBOMOPYWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10(15)8-3-1-4-9(7-8)16-11-12-5-2-6-13-11/h1-7H,(H,14,15).
What are the key properties of 3-pyrimidin-2-yloxybenzoic acid?
3-pyrimidin-2-yloxybenzoic acid has a molecular weight of 216.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yloxybenzoic acid is sourced from PubChem (CID 2763560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).