1-bromo-2,6-naphthyridin-3-amine

• ChemBase ID: 240273
• Molecular Formular: C8H6BrN3
• Molecular Mass: 224.05734
• Monoisotopic Mass: 222.97450921
• SMILES: n1c(c2c(cc1N)cncc2)Br
• Canonical SMILES: Nc1cc2cnccc2c(n1)Br
• InChI: InChI=1S/C8H6BrN3/c9-8-6-1-2-11-4-5(6)3-7(10)12-8/h1-4H,(H2,10,12)
• InChIKey: XCIQIUBGAYVLLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2,6-naphthyridin-3-amine
• IUPAC Traditional name: 1-bromo-2,6-naphthyridin-3-amine
• Synonyms: 1-bromo-2,6-naphthyridin-3-amine

Database IDs

• MDL Number: MFCD00160697
• PubChem SID: 164296183
• PubChem CID: 5043457

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2668386
• LogD (pH = 7.4): 1.2671796
• Log P: 1.2671839
• Molar Refractivity: 51.6733 cm^3
• Polarizability: 19.972149 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.544

Product Information

• Purity: 95%