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

• ChemBase ID: 293217
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: Cl.c12c(nccc1)CNCC2
• Canonical SMILES: C1NCc2c(C1)cccn2.Cl
• InChI: InChI=1S/C8H10N2.ClH/c1-2-7-3-5-9-6-8(7)10-4-1;/h1-2,4,9H,3,5-6H2;1H
• InChIKey: SVWMZQMWBCSRFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1338707-67-7
• PubChem SID: 180678748
• PubChem CID: 71720941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.085385
• LogD (pH = 7.4): -0.3523967
• Log P: 0.43528262
• Molar Refractivity: 39.9365 cm^3
• Polarizability: 15.67829 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%