4-bromo-2,6-dichloropyridin-3-amine

• ChemBase ID: 180110
• Molecular Formular: C5H3BrCl2N2
• Molecular Mass: 241.90072
• Monoisotopic Mass: 239.88566547
• SMILES: c1(c(c(cc(n1)Cl)Br)N)Cl
• Canonical SMILES: Clc1cc(Br)c(c(n1)Cl)N
• InChI: InChI=1S/C5H3BrCl2N2/c6-2-1-3(7)10-5(8)4(2)9/h1H,9H2
• InChIKey: VQPYQALRCSTFHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,6-dichloropyridin-3-amine
• IUPAC Traditional name: 4-bromo-2,6-dichloropyridin-3-amine
• Synonyms: 3-Amino-4-bromo-2,6-dichloropyridine

Database IDs

• CAS Number: 1121586-37-5
• PubChem SID: 164236020
• PubChem CID: 53413496

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3438437
• LogD (pH = 7.4): 2.3438437
• Log P: 2.3438437
• Molar Refractivity: 47.9565 cm^3
• Polarizability: 17.570145 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true