pyridin-3-yl 3,4-dimethoxybenzoate

C14H13NO4 — CID 806488

IUPACpyridin-3-yl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccnc2)cc1OC
InChIInChI=1S/C14H13NO4/c1-17-12-6-5-10(8-13(12)18-2)14(16)19-11-4-3-7-15-9-11/h3-9H,1-2H3
InChIKeyRBYXKOVBKJQSMQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.32
Rot. Bonds4

About pyridin-3-yl 3,4-dimethoxybenzoate

pyridin-3-yl 3,4-dimethoxybenzoate (PubChem CID 806488) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is pyridin-3-yl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Namepyridin-3-yl 3,4-dimethoxybenzoate
PubChem CID806488
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namepyridin-3-yl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccnc2)cc1OC
InChIInChI=1S/C14H13NO4/c1-17-12-6-5-10(8-13(12)18-2)14(16)19-11-4-3-7-15-9-11/h3-9H,1-2H3
InChIKeyRBYXKOVBKJQSMQ-UHFFFAOYSA-N
XLogP2.32
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyridin-3-yl 3,4-dimethoxybenzoate 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-3-yl 3,4-dimethoxybenzoate?
The IUPAC name of pyridin-3-yl 3,4-dimethoxybenzoate (CID 806488) is pyridin-3-yl 3,4-dimethoxybenzoate.
What is the SMILES notation for pyridin-3-yl 3,4-dimethoxybenzoate?
The canonical SMILES for pyridin-3-yl 3,4-dimethoxybenzoate is COc1ccc(C(=O)Oc2cccnc2)cc1OC.
What is the InChIKey of pyridin-3-yl 3,4-dimethoxybenzoate?
The InChIKey is RBYXKOVBKJQSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-17-12-6-5-10(8-13(12)18-2)14(16)19-11-4-3-7-15-9-11/h3-9H,1-2H3.
What are the key properties of pyridin-3-yl 3,4-dimethoxybenzoate?
pyridin-3-yl 3,4-dimethoxybenzoate has a molecular weight of 259.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 3,4-dimethoxybenzoate is sourced from PubChem (CID 806488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).