4,6-dichloropyridin-3-amine

• ChemBase ID: 293505
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: Nc1c(Cl)cc(Cl)nc1
• Canonical SMILES: Clc1ncc(c(c1)Cl)N
• InChI: InChI=1S/C5H4Cl2N2/c6-3-1-5(7)9-2-4(3)8/h1-2H,8H2
• InChIKey: FBGVTWONYOCYGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloropyridin-3-amine
• IUPAC Traditional name: 4,6-dichloropyridin-3-amine
• Synonyms: 4,6-Dichloropyridin-3-amine; 5-AMINO-2,4-DICHLOROPYRIDINE

Database IDs

• CAS Number: 7321-93-9
• MDL Number: MFCD00234054
• PubChem SID: 180679036
• PubChem CID: 595729

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3549119
• LogD (pH = 7.4): 1.354914
• Log P: 1.354914
• Molar Refractivity: 39.2724 cm^3
• Polarizability: 14.458034 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%