2-bromo-5-iodopyridin-3-amine

• ChemBase ID: 32531
• Molecular Formular: C5H4BrIN2
• Molecular Mass: 298.90713
• Monoisotopic Mass: 297.86025814
• SMILES: c1(cnc(c(c1)N)Br)I
• Canonical SMILES: Ic1cnc(c(c1)N)Br
• InChI: InChI=1S/C5H4BrIN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
• InChIKey: ZOBJZYQEHPMUKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-iodopyridin-3-amine
• IUPAC Traditional name: 2-bromo-5-iodopyridin-3-amine
• Synonyms: 2-Bromo-5-iodopyridin-3-amine; 2-Bromo-5-iodopyridin-3-amine

Database IDs

• CAS Number: 1138444-06-0
• MDL Number: MFCD11857677
• PubChem SID: 160995838
• PubChem CID: 46736772

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8298641
• LogD (pH = 7.4): 1.8298665
• Log P: 1.8298665
• Molar Refractivity: 50.429 cm^3
• Polarizability: 19.052774 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): C5H4BrIN2

DETAILS

Sigma Aldrich - ADE000540

Other Notes
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