8-fluoro-5-methyl-2H-isoquinolin-1-one

C10H8FNO — CID 114517488

IUPAC8-fluoro-5-methyl-2H-isoquinolin-1-one
SMILESCc1ccc(F)c2c(=O)[nH]ccc12
InChIInChI=1S/C10H8FNO/c1-6-2-3-8(11)9-7(6)4-5-12-10(9)13/h2-5H,1H3,(H,12,13)
InChIKeyPCZYDIJLZWLJOA-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.98
Rot. Bonds

About 8-fluoro-5-methyl-2H-isoquinolin-1-one

8-fluoro-5-methyl-2H-isoquinolin-1-one (PubChem CID 114517488) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 8-fluoro-5-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-fluoro-5-methyl-2H-isoquinolin-1-one
PubChem CID114517488
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name8-fluoro-5-methyl-2H-isoquinolin-1-one
SMILESCc1ccc(F)c2c(=O)[nH]ccc12
InChIInChI=1S/C10H8FNO/c1-6-2-3-8(11)9-7(6)4-5-12-10(9)13/h2-5H,1H3,(H,12,13)
InChIKeyPCZYDIJLZWLJOA-UHFFFAOYSA-N
XLogP1.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
CID 114517571
5-chloro-8-methyl-2H-isoquinolin-1-one
CID 114517495
7,8-difluoro-4-methyl-2H-isoquinolin-1-one
CID 46864114
5-fluoro-8-nitro-2H-isoquinolin-1-one
CID 82572142
7,8-difluoro-2H-isoquinolin-1-one
CID 101190154
ethane;8-methyl-2H-isoquinolin-1-one
CID 142940495
5-fluoro-2H-isoquinolin-1-one
CID 22250167
5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one
CID 163616268
6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one
CID 82276334
2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one
CID 106520830
6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one
CID 11959542
6-methyl-2H-benzo[h]isoquinolin-1-one
CID 10465683

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methyl-2H-isoquinolin-1-one?
The IUPAC name of 8-fluoro-5-methyl-2H-isoquinolin-1-one (CID 114517488) is 8-fluoro-5-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 8-fluoro-5-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 8-fluoro-5-methyl-2H-isoquinolin-1-one is Cc1ccc(F)c2c(=O)[nH]ccc12.
What is the InChIKey of 8-fluoro-5-methyl-2H-isoquinolin-1-one?
The InChIKey is PCZYDIJLZWLJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-2-3-8(11)9-7(6)4-5-12-10(9)13/h2-5H,1H3,(H,12,13).
What are the key properties of 8-fluoro-5-methyl-2H-isoquinolin-1-one?
8-fluoro-5-methyl-2H-isoquinolin-1-one has a molecular weight of 177.18 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 114517488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).