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

• ChemBase ID: 149487
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: Cc1cccc(n1)c1cccc(n1)C
• Canonical SMILES: Cc1cccc(n1)c1cccc(n1)C
• InChI: InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3
• InChIKey: OHJPGUSXUGHOGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(6-methylpyridin-2-yl)pyridine
• IUPAC Traditional name: 2-methyl-6-(6-methylpyridin-2-yl)pyridine
• Synonyms: 6,6′-Dimethyl-2,2′-dipyridyl; 6,6'-Dimethyl-2,2'-bipyridine; 6,6′-二甲基-2,2′-联吡啶

Database IDs

• CAS Number: 4411-80-7
• EC Number: 224-566-5
• MDL Number: MFCD00059776
• PubChem SID: 162243652; 24873049
• PubChem CID: 20445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2055364
• LogD (pH = 7.4): 2.2193878
• Log P: 2.2195673
• Molar Refractivity: 55.3194 cm^3
• Polarizability: 23.106722 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93-95 °C(lit.)

Safety Information

• RTECS: DW1767000
• 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: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C12H12N2

DETAILS

Sigma Aldrich - 496367

Packaging
1, 5 g in glass bottle