4-bromo-1-methoxyisoquinolin-5-ol

C10H8BrNO2 — CID 84708016

IUPAC4-bromo-1-methoxyisoquinolin-5-ol
SMILESCOc1ncc(Br)c2c(O)cccc12
InChIInChI=1S/C10H8BrNO2/c1-14-10-6-3-2-4-8(13)9(6)7(11)5-12-10/h2-5,13H,1H3
InChIKeyHLQMDCKULCRPDL-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.71
Rot. Bonds1

About 4-bromo-1-methoxyisoquinolin-5-ol

4-bromo-1-methoxyisoquinolin-5-ol (PubChem CID 84708016) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 4-bromo-1-methoxyisoquinolin-5-ol.

Molecular Properties

Compound Name4-bromo-1-methoxyisoquinolin-5-ol
PubChem CID84708016
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name4-bromo-1-methoxyisoquinolin-5-ol
SMILESCOc1ncc(Br)c2c(O)cccc12
InChIInChI=1S/C10H8BrNO2/c1-14-10-6-3-2-4-8(13)9(6)7(11)5-12-10/h2-5,13H,1H3
InChIKeyHLQMDCKULCRPDL-UHFFFAOYSA-N
XLogP2.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxyisoquinolin-5-ol?
The IUPAC name of 4-bromo-1-methoxyisoquinolin-5-ol (CID 84708016) is 4-bromo-1-methoxyisoquinolin-5-ol.
What is the SMILES notation for 4-bromo-1-methoxyisoquinolin-5-ol?
The canonical SMILES for 4-bromo-1-methoxyisoquinolin-5-ol is COc1ncc(Br)c2c(O)cccc12.
What is the InChIKey of 4-bromo-1-methoxyisoquinolin-5-ol?
The InChIKey is HLQMDCKULCRPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-14-10-6-3-2-4-8(13)9(6)7(11)5-12-10/h2-5,13H,1H3.
What are the key properties of 4-bromo-1-methoxyisoquinolin-5-ol?
4-bromo-1-methoxyisoquinolin-5-ol has a molecular weight of 254.08 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxyisoquinolin-5-ol is sourced from PubChem (CID 84708016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).