5-bromo-3-iodopyridin-2-amine

• ChemBase ID: 45247
• Molecular Formular: C5H4BrIN2
• Molecular Mass: 298.90713
• Monoisotopic Mass: 297.86025814
• SMILES: Nc1c(cc(cn1)Br)I
• Canonical SMILES: Brc1cnc(c(c1)I)N
• InChI: InChI=1S/C5H4BrIN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
• InChIKey: XPERZSKJGNUSHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-iodopyridin-2-amine
• IUPAC Traditional name: 5-bromo-3-iodopyridin-2-amine
• Synonyms: 5-Bromo-3-iodo-2-pyridinamine; 5-Bromo-3-iodo-2-aminopyridine; 2-Amino-5-bromo-3-iodopyridine; 5-Bromo-3-iodo-pyridin-2-ylamine; 2-Amino-5-bromo-3-iodopyridine; 5-Bromo-3-iodopyridin-2-amine; 5-bromo-3-iodopyridin-2-amine; 2-氨基-5-溴-3-碘吡啶

Database IDs

• CAS Number: 381233-96-1
• MDL Number: MFCD06659000
• PubChem SID: 162050010
• PubChem CID: 1516508

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2149153
• LogD (pH = 7.4): 2.2187529
• Log P: 2.218802
• Molar Refractivity: 49.9003 cm^3
• Polarizability: 19.010351 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112-113 °C; 112-115°C; 113-115°C
• Hydrophobicity(logP): 2.47

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Light Sensitive/Store under Argon; IRRITANT, LIGHT SENSITIVE; Light Sensitive
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H4BrIN2

DETAILS

Sigma Aldrich - 704032

Packaging
1 g in glass bottle