7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

C16H10F3NO2 — CID 178038439

IUPAC7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2ccc(-c3cc(C(F)(F)F)ccc3O)cc12
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)11-3-4-14(21)12(8-11)10-2-1-9-5-6-20-15(22)13(9)7-10/h1-8,21H,(H,20,22)
InChIKeyIETWDZCYSLJUNJ-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.92
Rot. Bonds1

About 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one (PubChem CID 178038439) has the molecular formula C16H10F3NO2 and a molecular weight of 305.25 g/mol. Its IUPAC name is 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
PubChem CID178038439
Molecular FormulaC16H10F3NO2
Molecular Weight305.25 g/mol
Exact Mass305.07
IUPAC Name7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2ccc(-c3cc(C(F)(F)F)ccc3O)cc12
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)11-3-4-14(21)12(8-11)10-2-1-9-5-6-20-15(22)13(9)7-10/h1-8,21H,(H,20,22)
InChIKeyIETWDZCYSLJUNJ-UHFFFAOYSA-N
XLogP3.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-4-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 71375592
7-fluoro-6-[5-(trifluoromethyl)pyrimidin-2-yl]-2H-isoquinolin-1-one
CID 169118744
3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one
CID 122556149
2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol
CID 171697761
2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 146507943
2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one
CID 145313593
(1-oxo-2H-isoquinolin-7-yl)boronic acid
CID 89017076
2-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369391
7-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]-2H-isoquinolin-1-one
CID 126443624
5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole
CID 134329054
methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate
CID 133092068

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one?
The IUPAC name of 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one (CID 178038439) is 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one?
The canonical SMILES for 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one is O=c1[nH]ccc2ccc(-c3cc(C(F)(F)F)ccc3O)cc12.
What is the InChIKey of 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one?
The InChIKey is IETWDZCYSLJUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)11-3-4-14(21)12(8-11)10-2-1-9-5-6-20-15(22)13(9)7-10/h1-8,21H,(H,20,22).
What are the key properties of 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one?
7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one has a molecular weight of 305.25 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-5-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 178038439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).