4-chloropyridine-2,3-diamine

• ChemBase ID: 63138
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: c1cnc(N)c(N)c1Cl
• Canonical SMILES: Nc1c(Cl)ccnc1N
• InChI: InChI=1S/C5H6ClN3/c6-3-1-2-9-5(8)4(3)7/h1-2H,7H2,(H2,8,9)
• InChIKey: APGDUAJEMRMIJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloropyridine-2,3-diamine
• IUPAC Traditional name: 4-chloropyridine-2,3-diamine
• Synonyms: 2,3-Diamino-4-chloropyridine

Database IDs

• CAS Number: 24484-98-8
• MDL Number: MFCD13181777
• PubChem SID: 162028877
• PubChem CID: 22418004

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.27137378
• LogD (pH = 7.4): 0.28034613
• Log P: 0.2962237
• Molar Refractivity: 38.4202 cm^3
• Polarizability: 13.628364 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%