6-chloropyridine-2,3-diamine

• ChemBase ID: 69134
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: c1(c(ccc(n1)Cl)N)N
• Canonical SMILES: Clc1ccc(c(n1)N)N
• InChI: InChI=1S/C5H6ClN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
• InChIKey: QEIRYIILFUVXAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloropyridine-2,3-diamine
• IUPAC Traditional name: 6-chloropyridine-2,3-diamine
• Synonyms: 6-chloropyridine-2,3-diamine; 2,3-DIAMINO-6-CHLOROPYRIDINE; 6-Chloro-2,3-diaminopyridine

Database IDs

• CAS Number: 40851-95-4
• MDL Number: MFCD00209966
• PubChem SID: 162034863
• PubChem CID: 10630615

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5143229
• LogD (pH = 7.4): 0.51637465
• Log P: 0.5164009
• Molar Refractivity: 39.4815 cm^3
• Polarizability: 13.669468 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 1.239

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%