4,5-dichloropyridine-2,3-diamine

• ChemBase ID: 289799
• Molecular Formular: C5H5Cl2N3
• Molecular Mass: 178.0193
• Monoisotopic Mass: 176.98605254
• SMILES: Nc1ncc(Cl)c(Cl)c1N
• Canonical SMILES: Clc1cnc(c(c1Cl)N)N
• InChI: InChI=1S/C5H5Cl2N3/c6-2-1-10-5(9)4(8)3(2)7/h1H,8H2,(H2,9,10)
• InChIKey: GOVJRSTWOQZULF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloropyridine-2,3-diamine
• IUPAC Traditional name: 4,5-dichloropyridine-2,3-diamine
• Synonyms: 4,5-Dichloropyridine-2,3-diamine

Database IDs

• CAS Number: 662116-66-7
• PubChem SID: 180675330
• PubChem CID: 45480235

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8813994
• LogD (pH = 7.4): 0.9000253
• Log P: 0.9002684
• Molar Refractivity: 43.225 cm^3
• Polarizability: 15.612794 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%