6-bromo-2-chloro-4-iodopyridin-3-amine

• ChemBase ID: 32556
• Molecular Formular: C5H3BrClIN2
• Molecular Mass: 333.35219
• Monoisotopic Mass: 331.82128579
• SMILES: c1c(nc(c(c1I)N)Cl)Br
• Canonical SMILES: Brc1cc(I)c(c(n1)Cl)N
• InChI: InChI=1S/C5H3BrClIN2/c6-3-1-2(8)4(9)5(7)10-3/h1H,9H2
• InChIKey: HWLNYUGZLGKVKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloro-4-iodopyridin-3-amine
• IUPAC Traditional name: 6-bromo-2-chloro-4-iodopyridin-3-amine
• Synonyms: 6-Bromo-2-chloro-4-iodopyridin-3-amine; 6-Bromo-2-chloro-4-iodopyridin-3-amine

Database IDs

• CAS Number: 1138444-29-7
• MDL Number: MFCD11857701
• PubChem SID: 160995863
• PubChem CID: 46736794

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6540885
• LogD (pH = 7.4): 2.6540885
• Log P: 2.6540885
• Molar Refractivity: 56.2951 cm^3
• Polarizability: 21.123781 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%
• Empirical Formula (Hill Notation): C5H3BrClIN2

DETAILS

Sigma Aldrich - ADE000561

Other Notes
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