5-fluoro-6-hydroxy-2H-isoquinolin-3-one

C9H6FNO2 — CID 103351532

IUPAC5-fluoro-6-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2c(F)c(O)ccc2c[nH]1
InChIInChI=1S/C9H6FNO2/c10-9-6-3-8(13)11-4-5(6)1-2-7(9)12/h1-4,12H,(H,11,13)
InChIKeyMZOLWRAZKVHPFP-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.37
Rot. Bonds

About 5-fluoro-6-hydroxy-2H-isoquinolin-3-one

5-fluoro-6-hydroxy-2H-isoquinolin-3-one (PubChem CID 103351532) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-2H-isoquinolin-3-one
PubChem CID103351532
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name5-fluoro-6-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2c(F)c(O)ccc2c[nH]1
InChIInChI=1S/C9H6FNO2/c10-9-6-3-8(13)11-4-5(6)1-2-7(9)12/h1-4,12H,(H,11,13)
InChIKeyMZOLWRAZKVHPFP-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

6-Fluoroisoquinolin-3-ol
CID 21541267
4-Fluoroisoquinolin-3(2H)-one
CID 57336669
8-Fluoroisoquinolin-3-ol
CID 59636384
3(2H)-Isoquinolinone, 7-(trifluoromethoxy)-
CID 67520444
7-Fluoroisoquinolin-3(2H)-one
CID 67521240
5-Fluoroisoquinolin-3-ol
CID 92133519
5,6-difluoro-2H-isoquinolin-3-one
CID 103351528
5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
CID 130094528
6-hydroxy-2H-isoquinolin-3-one
CID 57268567
Isoquinoline-3,7-diol
CID 103351511
5-hydroxy-2H-isoquinolin-3-one
CID 103351525
8-Hydroxyisoquinolin-3(2H)-one
CID 141428402

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-2H-isoquinolin-3-one?
The IUPAC name of 5-fluoro-6-hydroxy-2H-isoquinolin-3-one (CID 103351532) is 5-fluoro-6-hydroxy-2H-isoquinolin-3-one.
What is the SMILES notation for 5-fluoro-6-hydroxy-2H-isoquinolin-3-one?
The canonical SMILES for 5-fluoro-6-hydroxy-2H-isoquinolin-3-one is O=c1cc2c(F)c(O)ccc2c[nH]1.
What is the InChIKey of 5-fluoro-6-hydroxy-2H-isoquinolin-3-one?
The InChIKey is MZOLWRAZKVHPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-9-6-3-8(13)11-4-5(6)1-2-7(9)12/h1-4,12H,(H,11,13).
What are the key properties of 5-fluoro-6-hydroxy-2H-isoquinolin-3-one?
5-fluoro-6-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 5-fluoro-6-hydroxy-2H-isoquinolin-3-one is sourced from PubChem (CID 103351532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).