7,8-difluoro-2-methylisoquinolin-1-one

C10H7F2NO — CID 176688064

IUPAC7,8-difluoro-2-methylisoquinolin-1-one
SMILESCn1ccc2ccc(F)c(F)c2c1=O
InChIInChI=1S/C10H7F2NO/c1-13-5-4-6-2-3-7(11)9(12)8(6)10(13)14/h2-5H,1H3
InChIKeyPAUIEUBIQZUFJJ-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.82
Rot. Bonds

About 7,8-difluoro-2-methylisoquinolin-1-one

7,8-difluoro-2-methylisoquinolin-1-one (PubChem CID 176688064) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 7,8-difluoro-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name7,8-difluoro-2-methylisoquinolin-1-one
PubChem CID176688064
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name7,8-difluoro-2-methylisoquinolin-1-one
SMILESCn1ccc2ccc(F)c(F)c2c1=O
InChIInChI=1S/C10H7F2NO/c1-13-5-4-6-2-3-7(11)9(12)8(6)10(13)14/h2-5H,1H3
InChIKeyPAUIEUBIQZUFJJ-UHFFFAOYSA-N
XLogP1.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-7,8-difluoro-2-methylisoquinolin-1-one
CID 170048700
5-bromo-8-fluoro-2-methylisoquinolin-1-one
CID 119081606
2,8-dimethylisoquinolin-1-one;ethane
CID 142953957
1,8-dimethylimidazo[4,5-h]isoquinolin-9-one
CID 141185724
3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one
CID 161267719
7,8-difluoro-2H-isoquinolin-1-one
CID 101190154
1,2-difluoro-8-methylnaphthalene
CID 138605111
4,5-difluoro-1-methylindole
CID 126599832
2-chloro-7-methyl-1,7-naphthyridin-8-one
CID 134828291
3-ethyl-4,5-difluoro-1-methylindole
CID 126610746
8-bromo-1,2-difluoro-6-methylnaphthalene
CID 174273019
5,7-difluoro-1-methylindol-6-amine
CID 117274554

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-methylisoquinolin-1-one?
The IUPAC name of 7,8-difluoro-2-methylisoquinolin-1-one (CID 176688064) is 7,8-difluoro-2-methylisoquinolin-1-one.
What is the SMILES notation for 7,8-difluoro-2-methylisoquinolin-1-one?
The canonical SMILES for 7,8-difluoro-2-methylisoquinolin-1-one is Cn1ccc2ccc(F)c(F)c2c1=O.
What is the InChIKey of 7,8-difluoro-2-methylisoquinolin-1-one?
The InChIKey is PAUIEUBIQZUFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c1-13-5-4-6-2-3-7(11)9(12)8(6)10(13)14/h2-5H,1H3.
What are the key properties of 7,8-difluoro-2-methylisoquinolin-1-one?
7,8-difluoro-2-methylisoquinolin-1-one has a molecular weight of 195.17 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-methylisoquinolin-1-one is sourced from PubChem (CID 176688064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).