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

• ChemBase ID: 801353
• Molecular Formular: C8H10Cl2N2
• Molecular Mass: 205.0844
• Monoisotopic Mass: 204.02210369
• SMILES: Cl.C1NCc2cc(ncc2C1)Cl
• Canonical SMILES: Clc1ncc2c(c1)CNCC2.Cl
• InChI: InChI=1S/C8H9ClN2.ClH/c9-8-3-7-4-10-2-1-6(7)5-11-8;/h3,5,10H,1-2,4H2;1H
• InChIKey: KBTDMMCAMGPSJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine hydrochloride
• IUPAC Traditional name: 3-chloro-5,6,7,8-tetrahydro-2,6-naphthyridine hydrochloride
• Synonyms: 7-CHLORO-1,2,3,4-TETRAHYDRO-2,6-NAPHTHYRIDINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8074902
• LogD (pH = 7.4): -0.26660278
• Log P: 1.1780326
• Molar Refractivity: 46.3248 cm^3
• Polarizability: 17.596487 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%