5-bromo-3-methylisoquinolin-4-ol

C10H8BrNO — CID 172554346

IUPAC5-bromo-3-methylisoquinolin-4-ol
SMILESCc1ncc2cccc(Br)c2c1O
InChIInChI=1S/C10H8BrNO/c1-6-10(13)9-7(5-12-6)3-2-4-8(9)11/h2-5,13H,1H3
InChIKeySACXLZWDZMMVSO-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.01
Rot. Bonds

About 5-bromo-3-methylisoquinolin-4-ol

5-bromo-3-methylisoquinolin-4-ol (PubChem CID 172554346) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 5-bromo-3-methylisoquinolin-4-ol.

Molecular Properties

Compound Name5-bromo-3-methylisoquinolin-4-ol
PubChem CID172554346
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name5-bromo-3-methylisoquinolin-4-ol
SMILESCc1ncc2cccc(Br)c2c1O
InChIInChI=1S/C10H8BrNO/c1-6-10(13)9-7(5-12-6)3-2-4-8(9)11/h2-5,13H,1H3
InChIKeySACXLZWDZMMVSO-UHFFFAOYSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylisoquinolin-4-ol?
The IUPAC name of 5-bromo-3-methylisoquinolin-4-ol (CID 172554346) is 5-bromo-3-methylisoquinolin-4-ol.
What is the SMILES notation for 5-bromo-3-methylisoquinolin-4-ol?
The canonical SMILES for 5-bromo-3-methylisoquinolin-4-ol is Cc1ncc2cccc(Br)c2c1O.
What is the InChIKey of 5-bromo-3-methylisoquinolin-4-ol?
The InChIKey is SACXLZWDZMMVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-6-10(13)9-7(5-12-6)3-2-4-8(9)11/h2-5,13H,1H3.
What are the key properties of 5-bromo-3-methylisoquinolin-4-ol?
5-bromo-3-methylisoquinolin-4-ol has a molecular weight of 238.08 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylisoquinolin-4-ol is sourced from PubChem (CID 172554346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).