N-amino-4-bromopyridine-2-carboximidamide

• ChemBase ID: 278556
• Molecular Formular: C6H7BrN4
• Molecular Mass: 215.05058
• Monoisotopic Mass: 213.98540824
• SMILES: C(=N)(c1cc(ccn1)Br)NN
• Canonical SMILES: NNC(=N)c1cc(Br)ccn1
• InChI: InChI=1S/C6H7BrN4/c7-4-1-2-10-5(3-4)6(8)11-9/h1-3H,9H2,(H2,8,11)
• InChIKey: RNIBBWSPDIMOBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-amino-4-bromopyridine-2-carboximidamide
• IUPAC Traditional name: N-amino-4-bromopyridine-2-carboximidamide
• Synonyms: N-amino-4-bromopyridine-2-carboximidamide

Database IDs

• MDL Number: MFCD19982595
• PubChem SID: 164334466
• PubChem CID: 54594919

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.0008413
• LogD (pH = 7.4): 0.40434211
• Log P: 0.5990025
• Molar Refractivity: 67.8013 cm^3
• Polarizability: 17.448597 Å^3
• Polar Surface Area: 74.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.554

Product Information

• Purity: 95%