5,7-dichloro-1,2,3,4-tetrahydro-1,6-naphthyridine

• ChemBase ID: 801753
• Molecular Formular: C8H8Cl2N2
• Molecular Mass: 203.06852
• Monoisotopic Mass: 202.00645363
• SMILES: C1CNc2cc(nc(c2C1)Cl)Cl
• Canonical SMILES: Clc1cc2NCCCc2c(n1)Cl
• InChI: InChI=1S/C8H8Cl2N2/c9-7-4-6-5(8(10)12-7)2-1-3-11-6/h4,11H,1-3H2
• InChIKey: HZGJYDXVWVXYRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloro-1,2,3,4-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 5,7-dichloro-1,2,3,4-tetrahydro-1,6-naphthyridine
• Synonyms: 5,7-DICHLORO-1,2,3,4-TETRAHYDRO-1,6-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3612187
• LogD (pH = 7.4): 2.361252
• Log P: 2.3612523
• Molar Refractivity: 53.7377 cm^3
• Polarizability: 19.20299 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%