6-chloro-3-iodopyridin-2-amine

• ChemBase ID: 288113
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: Nc1nc(Cl)ccc1I
• Canonical SMILES: Clc1ccc(c(n1)N)I
• InChI: InChI=1S/C5H4ClIN2/c6-4-2-1-3(7)5(8)9-4/h1-2H,(H2,8,9)
• InChIKey: GGXIOSCUHASSOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-iodopyridin-2-amine
• IUPAC Traditional name: 6-chloro-3-iodopyridin-2-amine
• Synonyms: 6-Chloro-3-iodopyridin-2-amine

Database IDs

• CAS Number: 800402-06-6
• PubChem SID: 180673644
• PubChem CID: 45480365

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2742426
• LogD (pH = 7.4): 2.274271
• Log P: 2.2742712
• Molar Refractivity: 48.1436 cm^3
• Polarizability: 17.90171 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%