7-fluoro-1-hydroxy-2H-isoquinolin-3-one

C9H6FNO2 — CID 133058383

IUPAC7-fluoro-1-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2ccc(F)cc2c(O)[nH]1
InChIInChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(12)11-9(13)7(5)4-6/h1-4H,(H2,11,12,13)
InChIKeyVYIUXIAGXZGGQS-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.37
Rot. Bonds

About 7-fluoro-1-hydroxy-2H-isoquinolin-3-one

7-fluoro-1-hydroxy-2H-isoquinolin-3-one (PubChem CID 133058383) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 7-fluoro-1-hydroxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name7-fluoro-1-hydroxy-2H-isoquinolin-3-one
PubChem CID133058383
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name7-fluoro-1-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2ccc(F)cc2c(O)[nH]1
InChIInChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(12)11-9(13)7(5)4-6/h1-4H,(H2,11,12,13)
InChIKeyVYIUXIAGXZGGQS-UHFFFAOYSA-N
XLogP1.37
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Isoquinolinediol
CID 251596
1-ethoxy-8-fluoro-2H-isoquinolin-3-one
CID 138974315
1-ethoxy-7-fluoro-2H-isoquinolin-3-one
CID 138974695
Trihydroxyisoquinoline
CID 67120228
1-hydroxy-2H-benzo[g]isoquinolin-3-one
CID 91372494
1-Chloro-6-fluoroisoquinolin-3-ol
CID 90101659
6-fluoro-1-hydroxy-2H-isoquinolin-3-one
CID 90817847
6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 123754015
5-(fluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 152701922
2,6-Dihydroxy-3-vinyl-4-methylpyridine
CID 13310393
3-(Trifluoromethyl)pyridine-2,6-diol
CID 17891626
5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130094533

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-hydroxy-2H-isoquinolin-3-one?
The IUPAC name of 7-fluoro-1-hydroxy-2H-isoquinolin-3-one (CID 133058383) is 7-fluoro-1-hydroxy-2H-isoquinolin-3-one.
What is the SMILES notation for 7-fluoro-1-hydroxy-2H-isoquinolin-3-one?
The canonical SMILES for 7-fluoro-1-hydroxy-2H-isoquinolin-3-one is O=c1cc2ccc(F)cc2c(O)[nH]1.
What is the InChIKey of 7-fluoro-1-hydroxy-2H-isoquinolin-3-one?
The InChIKey is VYIUXIAGXZGGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(12)11-9(13)7(5)4-6/h1-4H,(H2,11,12,13).
What are the key properties of 7-fluoro-1-hydroxy-2H-isoquinolin-3-one?
7-fluoro-1-hydroxy-2H-isoquinolin-3-one has a molecular weight of 179.15 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-hydroxy-2H-isoquinolin-3-one is sourced from PubChem (CID 133058383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).