pyridin-2-yl 4-methoxybenzoate

C13H11NO3 — CID 12557116

IUPACpyridin-2-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccn2)cc1
InChIInChI=1S/C13H11NO3/c1-16-11-7-5-10(6-8-11)13(15)17-12-4-2-3-9-14-12/h2-9H,1H3
InChIKeyFIHMTTPCLGAPMW-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.31
Rot. Bonds3

About pyridin-2-yl 4-methoxybenzoate

pyridin-2-yl 4-methoxybenzoate (PubChem CID 12557116) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is pyridin-2-yl 4-methoxybenzoate.

Molecular Properties

Compound Namepyridin-2-yl 4-methoxybenzoate
PubChem CID12557116
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Namepyridin-2-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccn2)cc1
InChIInChI=1S/C13H11NO3/c1-16-11-7-5-10(6-8-11)13(15)17-12-4-2-3-9-14-12/h2-9H,1H3
InChIKeyFIHMTTPCLGAPMW-UHFFFAOYSA-N
XLogP2.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze pyridin-2-yl 4-methoxybenzoate 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 pyridin-2-yl 4-methoxybenzoate?
The IUPAC name of pyridin-2-yl 4-methoxybenzoate (CID 12557116) is pyridin-2-yl 4-methoxybenzoate.
What is the SMILES notation for pyridin-2-yl 4-methoxybenzoate?
The canonical SMILES for pyridin-2-yl 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccccn2)cc1.
What is the InChIKey of pyridin-2-yl 4-methoxybenzoate?
The InChIKey is FIHMTTPCLGAPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-16-11-7-5-10(6-8-11)13(15)17-12-4-2-3-9-14-12/h2-9H,1H3.
What are the key properties of pyridin-2-yl 4-methoxybenzoate?
pyridin-2-yl 4-methoxybenzoate has a molecular weight of 229.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl 4-methoxybenzoate is sourced from PubChem (CID 12557116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).