2-hydroxy-8-iminoisoquinolin-5-amine

C9H9N3O — CID 58671709

IUPAC2-hydroxy-8-iminoisoquinolin-5-amine
SMILES[H]/N=c1\ccc(N)c2ccn(O)cc1-2
InChIInChI=1S/C9H9N3O/c10-8-1-2-9(11)7-5-12(13)4-3-6(7)8/h1-5,11,13H,10H2/b11-9+
InChIKeyJSESDSQMPJJSRK-PKNBQFBNSA-N
MW175.19 g/mol
LogP0.89
Rot. Bonds

About 2-hydroxy-8-iminoisoquinolin-5-amine

2-hydroxy-8-iminoisoquinolin-5-amine (PubChem CID 58671709) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-hydroxy-8-iminoisoquinolin-5-amine.

Molecular Properties

Compound Name2-hydroxy-8-iminoisoquinolin-5-amine
PubChem CID58671709
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-hydroxy-8-iminoisoquinolin-5-amine
SMILES[H]/N=c1\ccc(N)c2ccn(O)cc1-2
InChIInChI=1S/C9H9N3O/c10-8-1-2-9(11)7-5-12(13)4-3-6(7)8/h1-5,11,13H,10H2/b11-9+
InChIKeyJSESDSQMPJJSRK-PKNBQFBNSA-N
XLogP0.89
TPSA75.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-iminoisoquinolin-5-amine?
The IUPAC name of 2-hydroxy-8-iminoisoquinolin-5-amine (CID 58671709) is 2-hydroxy-8-iminoisoquinolin-5-amine.
What is the SMILES notation for 2-hydroxy-8-iminoisoquinolin-5-amine?
The canonical SMILES for 2-hydroxy-8-iminoisoquinolin-5-amine is [H]/N=c1\ccc(N)c2ccn(O)cc1-2.
What is the InChIKey of 2-hydroxy-8-iminoisoquinolin-5-amine?
The InChIKey is JSESDSQMPJJSRK-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H9N3O/c10-8-1-2-9(11)7-5-12(13)4-3-6(7)8/h1-5,11,13H,10H2/b11-9+.
What are the key properties of 2-hydroxy-8-iminoisoquinolin-5-amine?
2-hydroxy-8-iminoisoquinolin-5-amine has a molecular weight of 175.19 g/mol, XLogP of 0.89, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-iminoisoquinolin-5-amine is sourced from PubChem (CID 58671709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).