2,3,5-tribromopyridin-4-amine

• ChemBase ID: 71250
• Molecular Formular: C5H3Br3N2
• Molecular Mass: 330.80272
• Monoisotopic Mass: 327.78463411
• SMILES: c1(c(c(cnc1Br)Br)N)Br
• Canonical SMILES: Brc1cnc(c(c1N)Br)Br
• InChI: InChI=1S/C5H3Br3N2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
• InChIKey: KJTNPANGUADKEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-tribromopyridin-4-amine
• IUPAC Traditional name: 2,3,5-tribromopyridin-4-amine
• Synonyms: 4-Amino-2,3,5-tribromopyridine; 2,3,5-Tribromo-4-pyridinamine; 4-Amino-2,3,5-tribromopyridine; 4-氨基-2,3,5-三溴吡啶

Database IDs

• CAS Number: 861024-31-9
• MDL Number: MFCD09037458
• PubChem SID: 162036840
• PubChem CID: 37030056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4382596
• LogD (pH = 7.4): 2.4384253
• Log P: 2.4384272
• Molar Refractivity: 52.3121 cm^3
• Polarizability: 19.894382 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%