6-bromopyridine-3-carboximidamide

• ChemBase ID: 292796
• Molecular Formular: C6H6BrN3
• Molecular Mass: 200.03594
• Monoisotopic Mass: 198.97450921
• SMILES: N=C(N)c1cnc(Br)cc1
• Canonical SMILES: Brc1ccc(cn1)C(=N)N
• InChI: InChI=1S/C6H6BrN3/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H3,8,9)
• InChIKey: FMAPHMYZSAAORW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyridine-3-carboximidamide
• IUPAC Traditional name: 6-bromopyridine-3-carboximidamide
• Synonyms: 6-Bromonicotinimidamide

Database IDs

• CAS Number: 1346541-66-9
• PubChem SID: 180678327
• PubChem CID: 14458776

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7616738
• LogD (pH = 7.4): -1.5515227
• Log P: 0.6503165
• Molar Refractivity: 54.0386 cm^3
• Polarizability: 16.066402 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%