8-aminoisoquinolin-7-ol;hydrochloride

C9H9ClN2O — CID 67670050

IUPAC8-aminoisoquinolin-7-ol;hydrochloride
SMILESCl.Nc1c(O)ccc2ccncc12
InChIInChI=1S/C9H8N2O.ClH/c10-9-7-5-11-4-3-6(7)1-2-8(9)12;/h1-5,12H,10H2;1H
InChIKeyZHXPRMOVCNHUAM-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.94
Rot. Bonds

About 8-aminoisoquinolin-7-ol;hydrochloride

8-aminoisoquinolin-7-ol;hydrochloride (PubChem CID 67670050) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 8-aminoisoquinolin-7-ol;hydrochloride.

Molecular Properties

Compound Name8-aminoisoquinolin-7-ol;hydrochloride
PubChem CID67670050
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name8-aminoisoquinolin-7-ol;hydrochloride
SMILESCl.Nc1c(O)ccc2ccncc12
InChIInChI=1S/C9H8N2O.ClH/c10-9-7-5-11-4-3-6(7)1-2-8(9)12;/h1-5,12H,10H2;1H
InChIKeyZHXPRMOVCNHUAM-UHFFFAOYSA-N
XLogP1.94
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-aminoisoquinolin-7-ol;hydrochloride?
The IUPAC name of 8-aminoisoquinolin-7-ol;hydrochloride (CID 67670050) is 8-aminoisoquinolin-7-ol;hydrochloride.
What is the SMILES notation for 8-aminoisoquinolin-7-ol;hydrochloride?
The canonical SMILES for 8-aminoisoquinolin-7-ol;hydrochloride is Cl.Nc1c(O)ccc2ccncc12.
What is the InChIKey of 8-aminoisoquinolin-7-ol;hydrochloride?
The InChIKey is ZHXPRMOVCNHUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.ClH/c10-9-7-5-11-4-3-6(7)1-2-8(9)12;/h1-5,12H,10H2;1H.
What are the key properties of 8-aminoisoquinolin-7-ol;hydrochloride?
8-aminoisoquinolin-7-ol;hydrochloride has a molecular weight of 196.64 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminoisoquinolin-7-ol;hydrochloride is sourced from PubChem (CID 67670050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).