7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one

C10H6F3NO2 — CID 115063117

IUPAC7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(C(F)(F)F)c2ccc(O)cc12
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)8-4-14-9(16)7-3-5(15)1-2-6(7)8/h1-4,15H,(H,14,16)
InChIKeyCLNOGYWLLWKWRF-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.25
Rot. Bonds

About 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one

7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one (PubChem CID 115063117) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one
PubChem CID115063117
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(C(F)(F)F)c2ccc(O)cc12
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)8-4-14-9(16)7-3-5(15)1-2-6(7)8/h1-4,15H,(H,14,16)
InChIKeyCLNOGYWLLWKWRF-UHFFFAOYSA-N
XLogP2.25
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one 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 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one?
The IUPAC name of 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one (CID 115063117) is 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one?
The canonical SMILES for 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one is O=c1[nH]cc(C(F)(F)F)c2ccc(O)cc12.
What is the InChIKey of 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one?
The InChIKey is CLNOGYWLLWKWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)8-4-14-9(16)7-3-5(15)1-2-6(7)8/h1-4,15H,(H,14,16).
What are the key properties of 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one?
7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one has a molecular weight of 229.16 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 115063117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).