5-chloro-4-iodopyridin-2-amine

• ChemBase ID: 801454
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: n1c(cc(c(c1)Cl)I)N
• Canonical SMILES: Nc1ncc(c(c1)I)Cl
• InChI: InChI=1S/C5H4ClIN2/c6-3-2-9-5(8)1-4(3)7/h1-2H,(H2,8,9)
• InChIKey: PMLVDYBLXQYWLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-iodopyridin-2-amine
• IUPAC Traditional name: 5-chloro-4-iodopyridin-2-amine
• Synonyms: 5-CHLORO-4-IODOPYRIDIN-2-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0470047
• LogD (pH = 7.4): 2.0540042
• Log P: 2.054094
• Molar Refractivity: 47.0823 cm^3
• Polarizability: 17.85358 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%