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

• ChemBase ID: 148550
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: Cc1cccc(n1)c1ccccn1
• Canonical SMILES: Cc1cccc(n1)c1ccccn1
• InChI: InChI=1S/C11H10N2/c1-9-5-4-7-11(13-9)10-6-2-3-8-12-10/h2-8H,1H3
• InChIKey: LLCYXFYLGPOKQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(pyridin-2-yl)pyridine
• IUPAC Traditional name: 2-methyl-6-(pyridin-2-yl)pyridine
• Synonyms: 6-Methyl-2,2′-dipyridyl; 6-甲基-2,2′-二吡啶

Database IDs

• CAS Number: 56100-22-2
• MDL Number: MFCD02093688
• PubChem SID: 24873868; 162242725
• PubChem CID: 639521

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0798888
• LogD (pH = 7.4): 2.0880916
• Log P: 2.0881972
• Molar Refractivity: 50.7279 cm^3
• Polarizability: 21.342264 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 117-119 °C/0.1 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.09 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.607(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C11H10N2

DETAILS

Sigma Aldrich - 516147

Packaging
1 g in glass bottle