5-bromo-N-ethylpyridin-2-amine

• ChemBase ID: 49240
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1c(NCC)ccc(c1)Br
• Canonical SMILES: CCNc1ccc(cn1)Br
• InChI: InChI=1S/C7H9BrN2/c1-2-9-7-4-3-6(8)5-10-7/h3-5H,2H2,1H3,(H,9,10)
• InChIKey: PTXWZJGCLYCDFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-ethylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N-ethylpyridin-2-amine
• Synonyms: 5-bromo-N-ethylpyridin-2-amine; 5-Bromo-N-ethyl-2-pyridinamine

Database IDs

• CAS Number: 856850-36-7
• MDL Number: MFCD09743642
• PubChem SID: 162054003
• PubChem CID: 22504916

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8633834
• LogD (pH = 7.4): 1.947181
• Log P: 1.9483696
• Molar Refractivity: 46.7798 cm^3
• Polarizability: 17.071669 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67 - 69°C
• Hydrophobicity(logP): 2.639

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%