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

C10H8FNO — CID 23084881

IUPAC7-fluoro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2ccc(F)cc2c(=O)[nH]1
InChIInChI=1S/C10H8FNO/c1-6-4-7-2-3-8(11)5-9(7)10(13)12-6/h2-5H,1H3,(H,12,13)
InChIKeyYVBSWOTURPXIGF-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.98
Rot. Bonds

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

7-fluoro-3-methyl-2H-isoquinolin-1-one (PubChem CID 23084881) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 7-fluoro-3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-fluoro-3-methyl-2H-isoquinolin-1-one
PubChem CID23084881
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name7-fluoro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2ccc(F)cc2c(=O)[nH]1
InChIInChI=1S/C10H8FNO/c1-6-4-7-2-3-8(11)5-9(7)10(13)12-6/h2-5H,1H3,(H,12,13)
InChIKeyYVBSWOTURPXIGF-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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-2H-isoquinolin-1-one?
The IUPAC name of 7-fluoro-3-methyl-2H-isoquinolin-1-one (CID 23084881) is 7-fluoro-3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 7-fluoro-3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 7-fluoro-3-methyl-2H-isoquinolin-1-one is Cc1cc2ccc(F)cc2c(=O)[nH]1.
What is the InChIKey of 7-fluoro-3-methyl-2H-isoquinolin-1-one?
The InChIKey is YVBSWOTURPXIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-4-7-2-3-8(11)5-9(7)10(13)12-6/h2-5H,1H3,(H,12,13).
What are the key properties of 7-fluoro-3-methyl-2H-isoquinolin-1-one?
7-fluoro-3-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 7-fluoro-3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 23084881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).