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

C10H8BrNO — CID 84700526

IUPAC7-bromo-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2ccc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C10H8BrNO/c1-6-4-7-2-3-8(11)5-9(7)10(13)12-6/h2-5H,1H3,(H,12,13)
InChIKeyGUKPMOGOOWYGPF-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.60
Rot. Bonds

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

7-bromo-3-methyl-2H-isoquinolin-1-one (PubChem CID 84700526) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 7-bromo-3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-bromo-3-methyl-2H-isoquinolin-1-one
PubChem CID84700526
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name7-bromo-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2ccc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C10H8BrNO/c1-6-4-7-2-3-8(11)5-9(7)10(13)12-6/h2-5H,1H3,(H,12,13)
InChIKeyGUKPMOGOOWYGPF-UHFFFAOYSA-N
XLogP2.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-2H-isoquinolin-1-one?
The IUPAC name of 7-bromo-3-methyl-2H-isoquinolin-1-one (CID 84700526) is 7-bromo-3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 7-bromo-3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 7-bromo-3-methyl-2H-isoquinolin-1-one is Cc1cc2ccc(Br)cc2c(=O)[nH]1.
What is the InChIKey of 7-bromo-3-methyl-2H-isoquinolin-1-one?
The InChIKey is GUKPMOGOOWYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/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-bromo-3-methyl-2H-isoquinolin-1-one?
7-bromo-3-methyl-2H-isoquinolin-1-one has a molecular weight of 238.08 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 84700526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).