8-chloroisoquinolin-5-amine

• ChemBase ID: 294763
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: Nc1ccc(Cl)c2c1ccnc2
• Canonical SMILES: Nc1ccc(c2c1ccnc2)Cl
• InChI: InChI=1S/C9H7ClN2/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H,11H2
• InChIKey: KPTATDQIEWLVTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloroisoquinolin-5-amine
• IUPAC Traditional name: 8-chloroisoquinolin-5-amine
• Synonyms: 8-Chloroisoquinolin-5-amine

Database IDs

• CAS Number: 934554-41-3
• MDL Number: MFCD17169868
• PubChem SID: 180680294
• PubChem CID: 53421157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4726067
• LogD (pH = 7.4): 1.5195284
• Log P: 1.5201689
• Molar Refractivity: 49.8565 cm^3
• Polarizability: 19.950287 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%