6-bromopyridin-2-amine

• ChemBase ID: 16315
• Molecular Formular: C5H5BrN2
• Molecular Mass: 173.0106
• Monoisotopic Mass: 171.96361017
• SMILES: c1(cccc(n1)Br)N
• Canonical SMILES: Nc1cccc(n1)Br
• InChI: InChI=1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
• InChIKey: BKLJUYPLUWUEOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyridin-2-amine
• IUPAC Traditional name: 6-bromopyridin-2-amine
• Synonyms: 2-Amino-6-bromopyridine; 6-Bromopyridin-2-amine; 6-Bromo-2-pyridinamine; 6-bromopyridin-2-amine; 2-Amino-6-bromopyridine; 2-氨基-6-溴吡啶

Database IDs

• CAS Number: 1184170-10-2; 19798-81-3
• MDL Number: MFCD00137843
• PubChem SID: 160979622; 24874225
• PubChem CID: 300809

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4931176
• LogD (pH = 7.4): 1.4953511
• Log P: 1.4953796
• Molar Refractivity: 37.38 cm^3
• Polarizability: 13.5120945 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-91 °C(lit.); 88-91°C; 88-91°C; 90 - 91°C
• Hydrophobicity(logP): 1.304

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H5BrN2

DETAILS

Sigma Aldrich - 521744

Application
Employed in an efficient one-pot synthesis of 7-azaindoles.1
Used in the synthesis of anti-HIV agents.
Packaging
5, 25 g in glass bottle