2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde

C13H8ClNO3 — CID 19701612

IUPAC2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H8ClNO3/c14-9-3-4-11(17)10(6-9)13(18)12-8(7-16)2-1-5-15-12/h1-7,17H
InChIKeyOJNXQEDWXQTBRW-UHFFFAOYSA-N
MW261.66 g/mol
LogP2.48
Rot. Bonds3

About 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde

2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde (PubChem CID 19701612) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde
PubChem CID19701612
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H8ClNO3/c14-9-3-4-11(17)10(6-9)13(18)12-8(7-16)2-1-5-15-12/h1-7,17H
InChIKeyOJNXQEDWXQTBRW-UHFFFAOYSA-N
XLogP2.48
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-hydroxybenzoyl)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 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde (CID 19701612) is 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde is O=Cc1cccnc1C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde?
The InChIKey is OJNXQEDWXQTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-9-3-4-11(17)10(6-9)13(18)12-8(7-16)2-1-5-15-12/h1-7,17H.
What are the key properties of 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde?
2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde has a molecular weight of 261.66 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 19701612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).