5-bromo-2-chloropyridin-4-amine

• ChemBase ID: 43826
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1c(c(cnc1Cl)Br)N
• Canonical SMILES: Clc1ncc(c(c1)N)Br
• InChI: InChI=1S/C5H4BrClN2/c6-3-2-9-5(7)1-4(3)8/h1-2H,(H2,8,9)
• InChIKey: MGZWZNBANVSZLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-chloropyridin-4-amine
• IUPAC Traditional name: 5-bromo-2-chloropyridin-4-amine
• Synonyms: 5-bromo-2-chloropyridin-4-amine; 5-Bromo-2-chloro-4-pyridinamine; 5-Bromo-2-chloropyridin-4-amine; 4-Amino-5-bromo-2-chloropyridine; 5-Bromo-2-chloro-4-pyridinamine; 4-Amino-5-bromo-2-chloropyridine; 4-氨基-5-溴-2-氯吡啶

Database IDs

• CAS Number: 857730-21-3
• MDL Number: MFCD09037459
• PubChem SID: 162048589
• PubChem CID: 37030051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.516425
• LogD (pH = 7.4): 1.5195816
• Log P: 1.519622
• Molar Refractivity: 42.0904 cm^3
• Polarizability: 15.515322 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 126 °C; 127-129°C; 127-129°C; 156-157°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: >95%; 95%; 98%