6-bromo-1,8-naphthyridin-2-amine

• ChemBase ID: 66877
• Molecular Formular: C8H6BrN3
• Molecular Mass: 224.05734
• Monoisotopic Mass: 222.97450921
• SMILES: n1c(ccc2cc(cnc12)Br)N
• Canonical SMILES: Brc1cnc2c(c1)ccc(n2)N
• InChI: InChI=1S/C8H6BrN3/c9-6-3-5-1-2-7(10)12-8(5)11-4-6/h1-4H,(H2,10,11,12)
• InChIKey: PEDHUXRIIJIMDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-1,8-naphthyridin-2-amine
• IUPAC Traditional name: 6-bromo-1,8-naphthyridin-2-amine
• Synonyms: 6-Bromo-1,8-naphthyridin-2-amine; 2-Amino-6-bromo-1,8-diazanaphthalene; 2-Amino-6-bromo-1,8-naphthyridine; 6-BROMO-1,8-NAPHTHYRIDIN-2-AMINE

Database IDs

• CAS Number: 64874-38-0
• MDL Number: MFCD09909648
• PubChem SID: 162032613
• PubChem CID: 12348890

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7724736
• LogD (pH = 7.4): 1.7725163
• Log P: 1.7725168
• Molar Refractivity: 52.0319 cm^3
• Polarizability: 19.29903 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%