4-bromo-2,7-naphthyridin-1-amine

• ChemBase ID: 294501
• Molecular Formular: C8H6BrN3
• Molecular Mass: 224.05734
• Monoisotopic Mass: 222.97450921
• SMILES: Nc1c2cnccc2c(Br)cn1
• Canonical SMILES: Nc1ncc(c2c1cncc2)Br
• InChI: InChI=1S/C8H6BrN3/c9-7-4-12-8(10)6-3-11-2-1-5(6)7/h1-4H,(H2,10,12)
• InChIKey: GIFGLLRPNLFCGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,7-naphthyridin-1-amine
• IUPAC Traditional name: 4-bromo-2,7-naphthyridin-1-amine
• Synonyms: 4-Bromo-2,7-naphthyridin-1-amine

Database IDs

• CAS Number: 959558-28-2
• MDL Number: MFCD14707654
• PubChem SID: 180680032
• PubChem CID: 23727075

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.059944
• LogD (pH = 7.4): 1.0616403
• Log P: 1.061662
• Molar Refractivity: 50.8311 cm^3
• Polarizability: 19.923952 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%