3-pyridin-2-ylbenzaldehyde

C12H9NO — CID 3710039

IUPAC3-pyridin-2-ylbenzaldehyde
SMILESO=Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C12H9NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h1-9H
InChIKeySAPNGHSAYQXRPG-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.56
Rot. Bonds2

About 3-pyridin-2-ylbenzaldehyde

3-pyridin-2-ylbenzaldehyde (PubChem CID 3710039) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-pyridin-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-pyridin-2-ylbenzaldehyde
PubChem CID3710039
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name3-pyridin-2-ylbenzaldehyde
SMILESO=Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C12H9NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h1-9H
InChIKeySAPNGHSAYQXRPG-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylbenzaldehyde?
The IUPAC name of 3-pyridin-2-ylbenzaldehyde (CID 3710039) is 3-pyridin-2-ylbenzaldehyde.
What is the SMILES notation for 3-pyridin-2-ylbenzaldehyde?
The canonical SMILES for 3-pyridin-2-ylbenzaldehyde is O=Cc1cccc(-c2ccccn2)c1.
What is the InChIKey of 3-pyridin-2-ylbenzaldehyde?
The InChIKey is SAPNGHSAYQXRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h1-9H.
What are the key properties of 3-pyridin-2-ylbenzaldehyde?
3-pyridin-2-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 3-pyridin-2-ylbenzaldehyde is sourced from PubChem (CID 3710039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).