N-amino-2-chloropyridine-4-carboximidamide

• ChemBase ID: 44418
• Molecular Formular: C6H7ClN4
• Molecular Mass: 170.59958
• Monoisotopic Mass: 170.03592392
• SMILES: C(=N)(c1cc(ncc1)Cl)NN
• Canonical SMILES: NNC(=N)c1ccnc(c1)Cl
• InChI: InChI=1S/C6H7ClN4/c7-5-3-4(1-2-10-5)6(8)11-9/h1-3H,9H2,(H2,8,11)
• InChIKey: MRYFCMRKCMVGHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11553064
• PubChem SID: 162049181
• PubChem CID: 45588374

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.1178257
• LogD (pH = 7.4): -1.2738252
• Log P: 0.26862136
• Molar Refractivity: 66.4166 cm^3
• Polarizability: 16.514137 Å^3
• Polar Surface Area: 74.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118 - 119 °C; 118-119°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%