6-chloro-5-iodopyridin-2-amine

• ChemBase ID: 65612
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: c1c(nc(c(c1)I)Cl)N
• Canonical SMILES: Nc1ccc(c(n1)Cl)I
• InChI: InChI=1S/C5H4ClIN2/c6-5-3(7)1-2-4(8)9-5/h1-2H,(H2,8,9)
• InChIKey: LTQCXIAUNZHCCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-iodopyridin-2-amine
• IUPAC Traditional name: 6-chloro-5-iodopyridin-2-amine
• Synonyms: 6-Chloro-5-iodopyridin-2-amine

Database IDs

• CAS Number: 1221398-11-3
• MDL Number: MFCD20486991
• PubChem SID: 162031351
• PubChem CID: 70700961

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2742414
• LogD (pH = 7.4): 2.274271
• Log P: 2.2742712
• Molar Refractivity: 48.1436 cm^3
• Polarizability: 17.911339 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: 95+%; 97%