2-(5-chloroisoquinolin-8-yl)benzaldehyde

C16H10ClNO — CID 134863745

IUPAC2-(5-chloroisoquinolin-8-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(Cl)c2ccncc12
InChIInChI=1S/C16H10ClNO/c17-16-6-5-13(15-9-18-8-7-14(15)16)12-4-2-1-3-11(12)10-19/h1-10H
InChIKeyOLXDCRHSUCJXFN-UHFFFAOYSA-N
MW267.72 g/mol
LogP4.37
Rot. Bonds2

About 2-(5-chloroisoquinolin-8-yl)benzaldehyde

2-(5-chloroisoquinolin-8-yl)benzaldehyde (PubChem CID 134863745) has the molecular formula C16H10ClNO and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-(5-chloroisoquinolin-8-yl)benzaldehyde.

Molecular Properties

Compound Name2-(5-chloroisoquinolin-8-yl)benzaldehyde
PubChem CID134863745
Molecular FormulaC16H10ClNO
Molecular Weight267.72 g/mol
Exact Mass267.05
IUPAC Name2-(5-chloroisoquinolin-8-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(Cl)c2ccncc12
InChIInChI=1S/C16H10ClNO/c17-16-6-5-13(15-9-18-8-7-14(15)16)12-4-2-1-3-11(12)10-19/h1-10H
InChIKeyOLXDCRHSUCJXFN-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-chloroisoquinolin-8-yl)benzaldehyde 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-chloroisoquinolin-8-yl)benzaldehyde?
The IUPAC name of 2-(5-chloroisoquinolin-8-yl)benzaldehyde (CID 134863745) is 2-(5-chloroisoquinolin-8-yl)benzaldehyde.
What is the SMILES notation for 2-(5-chloroisoquinolin-8-yl)benzaldehyde?
The canonical SMILES for 2-(5-chloroisoquinolin-8-yl)benzaldehyde is O=Cc1ccccc1-c1ccc(Cl)c2ccncc12.
What is the InChIKey of 2-(5-chloroisoquinolin-8-yl)benzaldehyde?
The InChIKey is OLXDCRHSUCJXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO/c17-16-6-5-13(15-9-18-8-7-14(15)16)12-4-2-1-3-11(12)10-19/h1-10H.
What are the key properties of 2-(5-chloroisoquinolin-8-yl)benzaldehyde?
2-(5-chloroisoquinolin-8-yl)benzaldehyde has a molecular weight of 267.72 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroisoquinolin-8-yl)benzaldehyde is sourced from PubChem (CID 134863745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).