4-chloro-5-iodopyridin-2-amine

• ChemBase ID: 65647
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: c1c(ncc(c1Cl)I)N
• Canonical SMILES: Nc1ncc(c(c1)Cl)I
• InChI: InChI=1S/C5H4ClIN2/c6-3-1-5(8)9-2-4(3)7/h1-2H,(H2,8,9)
• InChIKey: MBEBQNFNTISDFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-iodopyridin-2-amine
• IUPAC Traditional name: 4-chloro-5-iodopyridin-2-amine
• Synonyms: 4-Chloro-5-iodopyridin-2-amine

Database IDs

• CAS Number: 670253-37-9
• MDL Number: MFCD11977433
• PubChem SID: 162031386
• PubChem CID: 21949121

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0361564
• LogD (pH = 7.4): 2.0538633
• Log P: 2.054094
• Molar Refractivity: 47.0823 cm^3
• Polarizability: 17.859837 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%