5-bromo-6-methoxy-2H-isoquinolin-1-one

C10H8BrNO2 — CID 82572165

IUPAC5-bromo-6-methoxy-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]ccc2c1Br
InChIInChI=1S/C10H8BrNO2/c1-14-8-3-2-7-6(9(8)11)4-5-12-10(7)13/h2-5H,1H3,(H,12,13)
InChIKeyGWIXYJSCBPKRHF-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.30
Rot. Bonds1

About 5-bromo-6-methoxy-2H-isoquinolin-1-one

5-bromo-6-methoxy-2H-isoquinolin-1-one (PubChem CID 82572165) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-bromo-6-methoxy-2H-isoquinolin-1-one
PubChem CID82572165
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name5-bromo-6-methoxy-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]ccc2c1Br
InChIInChI=1S/C10H8BrNO2/c1-14-8-3-2-7-6(9(8)11)4-5-12-10(7)13/h2-5H,1H3,(H,12,13)
InChIKeyGWIXYJSCBPKRHF-UHFFFAOYSA-N
XLogP2.30
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methoxy-1H-pyridin-2-one
CID 119088071
6-methoxy-5-nitro-2H-isoquinolin-1-one
CID 141222598
5-bromo-6-piperidin-3-yloxy-2H-isoquinolin-1-one
CID 68875454
7-fluoro-5-methoxy-2H-isoquinolin-1-one
CID 71742702
3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
7-bromo-4-methoxy-2H-isoquinolin-1-one
CID 178177569
5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one
CID 103524193
6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one
CID 82276334
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
methane;6-methoxy-2H-isoquinolin-1-one
CID 143675508
ethane;4-methoxy-2H-isoquinolin-1-one
CID 90873525

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2H-isoquinolin-1-one?
The IUPAC name of 5-bromo-6-methoxy-2H-isoquinolin-1-one (CID 82572165) is 5-bromo-6-methoxy-2H-isoquinolin-1-one.
What is the SMILES notation for 5-bromo-6-methoxy-2H-isoquinolin-1-one?
The canonical SMILES for 5-bromo-6-methoxy-2H-isoquinolin-1-one is COc1ccc2c(=O)[nH]ccc2c1Br.
What is the InChIKey of 5-bromo-6-methoxy-2H-isoquinolin-1-one?
The InChIKey is GWIXYJSCBPKRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-14-8-3-2-7-6(9(8)11)4-5-12-10(7)13/h2-5H,1H3,(H,12,13).
What are the key properties of 5-bromo-6-methoxy-2H-isoquinolin-1-one?
5-bromo-6-methoxy-2H-isoquinolin-1-one has a molecular weight of 254.08 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-2H-isoquinolin-1-one is sourced from PubChem (CID 82572165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).