5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde

C14H13NO3 — CID 112694200

IUPAC5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(OC)c(-c2cncc(C=O)c2)c1
InChIInChI=1S/C14H13NO3/c1-17-12-3-4-14(18-2)13(6-12)11-5-10(9-16)7-15-8-11/h3-9H,1-2H3
InChIKeyYQUARJNXVRPZKU-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.58
Rot. Bonds4

About 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde

5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde (PubChem CID 112694200) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde
PubChem CID112694200
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(OC)c(-c2cncc(C=O)c2)c1
InChIInChI=1S/C14H13NO3/c1-17-12-3-4-14(18-2)13(6-12)11-5-10(9-16)7-15-8-11/h3-9H,1-2H3
InChIKeyYQUARJNXVRPZKU-UHFFFAOYSA-N
XLogP2.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde 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 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde (CID 112694200) is 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde is COc1ccc(OC)c(-c2cncc(C=O)c2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is YQUARJNXVRPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-12-3-4-14(18-2)13(6-12)11-5-10(9-16)7-15-8-11/h3-9H,1-2H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde?
5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 112694200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).