2-bromo-6-(pyridin-2-yl)pyridine

• ChemBase ID: 141582
• Molecular Formular: C10H7BrN2
• Molecular Mass: 235.07998
• Monoisotopic Mass: 233.97926023
• SMILES: c1ccnc(c1)c1cccc(n1)Br
• Canonical SMILES: Brc1cccc(n1)c1ccccn1
• InChI: InChI=1S/C10H7BrN2/c11-10-6-3-5-9(13-10)8-4-1-2-7-12-8/h1-7H
• InChIKey: NCRIDSGPLISUEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(pyridin-2-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(pyridin-2-yl)pyridine
• Synonyms: 6-Bromo-2,2′-bipyridine; 6-Bromo-2,2'-bipyridine; 6-溴-2,2′-联吡啶

Database IDs

• CAS Number: 10495-73-5
• MDL Number: MFCD01318953
• Beilstein Number: 130238
• PubChem SID: 162235816
• PubChem CID: 11791152

CALCULATED PROPERTIES

• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9299386
• LogD (pH = 7.4): 2.931087
• Log P: 2.9311016
• Molar Refractivity: 54.6014 cm^3
• Polarizability: 22.221855 Å^3

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥96.5% (HPLC); 97%
• Empirical Formula (Hill Notation): C10H7BrN2

DETAILS

Sigma Aldrich - 690066

Packaging
1 g in poly bottle