1,2,3,4-tetrahydro-2,6-naphthyridine hydrochloride

• ChemBase ID: 289690
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: Cl.c12c(CNCC1)ccnc2
• Canonical SMILES: N1CCc2c(C1)ccnc2.Cl
• InChI: InChI=1S/C8H10N2.ClH/c1-3-9-6-8-2-4-10-5-7(1)8;/h1,3,6,10H,2,4-5H2;1H
• InChIKey: BWTPLJQRMBYYDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydro-2,6-naphthyridine hydrochloride
• IUPAC Traditional name: 1,2,3,4-tetrahydro-2,6-naphthyridine hydrochloride
• Synonyms: 1,2,3,4-Tetrahydro-2,6-naphthyridine hydrochloride

Database IDs

• PubChem SID: 180675221
• PubChem CID: 66570664

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6989844
• LogD (pH = 7.4): -1.246605
• Log P: 0.35381073
• Molar Refractivity: 40.4587 cm^3
• Polarizability: 15.6771755 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%