6-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine

• ChemBase ID: 801755
• Molecular Formular: C8H9BrN2
• Molecular Mass: 213.07446
• Monoisotopic Mass: 211.9949103
• SMILES: C1CNc2cnc(cc2C1)Br
• Canonical SMILES: Brc1ncc2c(c1)CCCN2
• InChI: InChI=1S/C8H9BrN2/c9-8-4-6-2-1-3-10-7(6)5-11-8/h4-5,10H,1-3H2
• InChIKey: ATIUYPQOGGVTSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
• IUPAC Traditional name: 6-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
• Synonyms: 6-BROMO-1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.686528
• LogD (pH = 7.4): 1.6870763
• Log P: 1.6870834
• Molar Refractivity: 50.4705 cm^3
• Polarizability: 18.163298 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%