2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde

C17H10F3NO2 — CID 59599792

IUPAC2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(-c2cncc3ccccc23)cc(C(F)(F)F)c1O
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)15-6-11(5-12(9-22)16(15)23)14-8-21-7-10-3-1-2-4-13(10)14/h1-9,23H
InChIKeyJBTVUOYJAIPGBV-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.44
Rot. Bonds2

About 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde

2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde (PubChem CID 59599792) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde
PubChem CID59599792
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(-c2cncc3ccccc23)cc(C(F)(F)F)c1O
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)15-6-11(5-12(9-22)16(15)23)14-8-21-7-10-3-1-2-4-13(10)14/h1-9,23H
InChIKeyJBTVUOYJAIPGBV-UHFFFAOYSA-N
XLogP4.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)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-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde (CID 59599792) is 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde is O=Cc1cc(-c2cncc3ccccc23)cc(C(F)(F)F)c1O.
What is the InChIKey of 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde?
The InChIKey is JBTVUOYJAIPGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/c18-17(19,20)15-6-11(5-12(9-22)16(15)23)14-8-21-7-10-3-1-2-4-13(10)14/h1-9,23H.
What are the key properties of 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde?
2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde has a molecular weight of 317.27 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 59599792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).