N-amino-4-chloropyridine-2-carboximidamide

• ChemBase ID: 277744
• Molecular Formular: C6H7ClN4
• Molecular Mass: 170.59958
• Monoisotopic Mass: 170.03592392
• SMILES: C(=N)(c1cc(ccn1)Cl)NN
• Canonical SMILES: NNC(=N)c1cc(Cl)ccn1
• InChI: InChI=1S/C6H7ClN4/c7-4-1-2-10-5(3-4)6(8)11-9/h1-3H,9H2,(H2,8,11)
• InChIKey: SBHVCNJYBNOYDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982416
• PubChem SID: 164333654
• PubChem CID: 44478047

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.1007134
• LogD (pH = 7.4): 0.26592475
• Log P: 0.4342945
• Molar Refractivity: 64.9833 cm^3
• Polarizability: 16.461336 Å^3
• Polar Surface Area: 74.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 248 - 250°C
• Hydrophobicity(logP): 1.404

Product Information

• Purity: 95%