2-bromo-4,5-dichloro-6-iodo-3-methoxypyridine

• ChemBase ID: 65609
• Molecular Formular: C6H3BrCl2INO
• Molecular Mass: 382.80859
• Monoisotopic Mass: 380.78197908
• SMILES: c1(c(nc(c(c1Cl)OC)Br)I)Cl
• Canonical SMILES: COc1c(Br)nc(c(c1Cl)Cl)I
• InChI: InChI=1S/C6H3BrCl2INO/c1-12-4-2(8)3(9)6(10)11-5(4)7/h1H3
• InChIKey: DELIJYMGNUJWKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4,5-dichloro-6-iodo-3-methoxypyridine
• IUPAC Traditional name: 2-bromo-4,5-dichloro-6-iodo-3-methoxypyridine
• Synonyms: 2-Bromo-4,5-dichloro-6-iodo-3-methoxypyridine

Database IDs

• MDL Number: MFCD20487070
• PubChem SID: 162031348
• PubChem CID: 71299110

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7417982
• LogD (pH = 7.4): 3.7417982
• Log P: 3.7417982
• Molar Refractivity: 61.5095 cm^3
• Polarizability: 24.612707 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%