5-bromo-8-methylisoquinoline

C10H8BrN — CID 59164773

IUPAC5-bromo-8-methylisoquinoline
SMILESCc1ccc(Br)c2ccncc12
InChIInChI=1S/C10H8BrN/c1-7-2-3-10(11)8-4-5-12-6-9(7)8/h2-6H,1H3
InChIKeyMQAYLCDYWHWRHK-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.31
Rot. Bonds

About 5-bromo-8-methylisoquinoline

5-bromo-8-methylisoquinoline (PubChem CID 59164773) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 5-bromo-8-methylisoquinoline.

Molecular Properties

Compound Name5-bromo-8-methylisoquinoline
PubChem CID59164773
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name5-bromo-8-methylisoquinoline
SMILESCc1ccc(Br)c2ccncc12
InChIInChI=1S/C10H8BrN/c1-7-2-3-10(11)8-4-5-12-6-9(7)8/h2-6H,1H3
InChIKeyMQAYLCDYWHWRHK-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methylisoquinoline?
The IUPAC name of 5-bromo-8-methylisoquinoline (CID 59164773) is 5-bromo-8-methylisoquinoline.
What is the SMILES notation for 5-bromo-8-methylisoquinoline?
The canonical SMILES for 5-bromo-8-methylisoquinoline is Cc1ccc(Br)c2ccncc12.
What is the InChIKey of 5-bromo-8-methylisoquinoline?
The InChIKey is MQAYLCDYWHWRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c1-7-2-3-10(11)8-4-5-12-6-9(7)8/h2-6H,1H3.
What are the key properties of 5-bromo-8-methylisoquinoline?
5-bromo-8-methylisoquinoline has a molecular weight of 222.09 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methylisoquinoline is sourced from PubChem (CID 59164773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).