2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride

• ChemBase ID: 64628
• Molecular Formular: C8H10Cl2N2
• Molecular Mass: 205.0844
• Monoisotopic Mass: 204.02210369
• SMILES: n1c2c(ccc1Cl)CNCC2.Cl
• Canonical SMILES: Clc1ccc2c(n1)CCNC2.Cl
• InChI: InChI=1S/C8H9ClN2.ClH/c9-8-2-1-6-5-10-4-3-7(6)11-8;/h1-2,10H,3-5H2;1H
• InChIKey: FRACHJCOMOVESL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
• IUPAC Traditional name: 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
• Synonyms: 2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride

Database IDs

• CAS Number: 766545-20-4
• MDL Number: MFCD09835503
• PubChem SID: 162030367
• PubChem CID: 18449165

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7433827
• LogD (pH = 7.4): -0.16719006
• Log P: 1.207856
• Molar Refractivity: 45.747 cm^3
• Polarizability: 17.599504 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 97%