8-aminoisoquinolin-5-ol

C9H8N2O — CID 13374635

IUPAC8-aminoisoquinolin-5-ol
SMILESNc1ccc(O)c2ccncc12
InChIInChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2
InChIKeyBCIFJDGSMDSLLM-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.52
Rot. Bonds

About 8-aminoisoquinolin-5-ol

8-aminoisoquinolin-5-ol (PubChem CID 13374635) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 8-aminoisoquinolin-5-ol.

Molecular Properties

Compound Name8-aminoisoquinolin-5-ol
PubChem CID13374635
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name8-aminoisoquinolin-5-ol
SMILESNc1ccc(O)c2ccncc12
InChIInChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2
InChIKeyBCIFJDGSMDSLLM-UHFFFAOYSA-N
XLogP1.52
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-aminoisoquinolin-5-ol?
The IUPAC name of 8-aminoisoquinolin-5-ol (CID 13374635) is 8-aminoisoquinolin-5-ol.
What is the SMILES notation for 8-aminoisoquinolin-5-ol?
The canonical SMILES for 8-aminoisoquinolin-5-ol is Nc1ccc(O)c2ccncc12.
What is the InChIKey of 8-aminoisoquinolin-5-ol?
The InChIKey is BCIFJDGSMDSLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2.
What are the key properties of 8-aminoisoquinolin-5-ol?
8-aminoisoquinolin-5-ol has a molecular weight of 160.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminoisoquinolin-5-ol is sourced from PubChem (CID 13374635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).