2,4-dibromo-6-chloropyridin-3-amine

• ChemBase ID: 54413
• Molecular Formular: C5H3Br2ClN2
• Molecular Mass: 286.35172
• Monoisotopic Mass: 283.83514979
• SMILES: c1c(nc(c(c1Br)N)Br)Cl
• Canonical SMILES: Clc1cc(Br)c(c(n1)Br)N
• InChI: InChI=1S/C5H3Br2ClN2/c6-2-1-3(8)10-5(7)4(2)9/h1H,9H2
• InChIKey: LXCKKZBYYPOUDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-6-chloropyridin-3-amine
• IUPAC Traditional name: 2,4-dibromo-6-chloropyridin-3-amine
• Synonyms: 2,4-Dibromo-6-chloropyridin-3-amine; 2,4-Dibromo-6-chloropyridin-3-amine

Database IDs

• MDL Number: MFCD18803481
• PubChem SID: 162059176
• PubChem CID: 50989640

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4938965
• LogD (pH = 7.4): 2.4938965
• Log P: 2.4938965
• Molar Refractivity: 50.5554 cm^3
• Polarizability: 18.722586 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): C5H3Br2ClN2

DETAILS

Sigma Aldrich - ADE000150

Other Notes
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