5-bromo-2-methoxypyridin-3-amine

• ChemBase ID: 45188
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: n1c(c(cc(c1)Br)N)OC
• Canonical SMILES: COc1ncc(cc1N)Br
• InChI: InChI=1S/C6H7BrN2O/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,8H2,1H3
• InChIKey: HJOOFLFWIISCAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-methoxypyridin-3-amine
• IUPAC Traditional name: 5-bromo-2-methoxypyridin-3-amine
• Synonyms: 5-Bromo-2-methoxypyridin-3-amine; 5-Bromo-2-methoxypyridin-3-amine; 3-Amino-5-bromopyridin-2-yl methyl ether; 3-Amino-5-bromo-2-methoxypyridine; 5-Bromo-2-methoxy-3-pyridinamine; 5-Bromo-2-methoxypyridin-3-amine; 3-Amino-5-bromo-2-methoxypyridine; 3-胺基-5-溴-2-甲氧基吡啶

Database IDs

• CAS Number: 884495-39-0
• MDL Number: MFCD07368887
• PubChem SID: 162049951
• PubChem CID: 44754869

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.13214
• LogD (pH = 7.4): 1.1321857
• Log P: 1.1321863
• Molar Refractivity: 43.001 cm^3
• Polarizability: 16.034576 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 58 °C; 57-58°C
• Hydrophobicity(logP): 2.096

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: >95%; 95%; 95+%; 96%; 97%; 98%
• Empirical Formula (Hill Notation): C6H7BrN2O

DETAILS

Sigma Aldrich - ADE000451

Other Notes
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