2-pyridin-3-ylbenzaldehyde

C12H9NO — CID 3857593

IUPAC2-pyridin-3-ylbenzaldehyde
SMILESO=Cc1ccccc1-c1cccnc1
InChIInChI=1S/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H
InChIKeyDTUANRRVVJRTJS-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.56
Rot. Bonds2

About 2-pyridin-3-ylbenzaldehyde

2-pyridin-3-ylbenzaldehyde (PubChem CID 3857593) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-pyridin-3-ylbenzaldehyde.

Molecular Properties

Compound Name2-pyridin-3-ylbenzaldehyde
PubChem CID3857593
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2-pyridin-3-ylbenzaldehyde
SMILESO=Cc1ccccc1-c1cccnc1
InChIInChI=1S/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H
InChIKeyDTUANRRVVJRTJS-UHFFFAOYSA-N
XLogP2.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pyridin-3-ylbenzaldehyde 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 2-pyridin-3-ylbenzaldehyde?
The IUPAC name of 2-pyridin-3-ylbenzaldehyde (CID 3857593) is 2-pyridin-3-ylbenzaldehyde.
What is the SMILES notation for 2-pyridin-3-ylbenzaldehyde?
The canonical SMILES for 2-pyridin-3-ylbenzaldehyde is O=Cc1ccccc1-c1cccnc1.
What is the InChIKey of 2-pyridin-3-ylbenzaldehyde?
The InChIKey is DTUANRRVVJRTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H.
What are the key properties of 2-pyridin-3-ylbenzaldehyde?
2-pyridin-3-ylbenzaldehyde has a molecular weight of 183.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylbenzaldehyde is sourced from PubChem (CID 3857593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).