4-methyl-2-(1H-pyrrol-1-yl)pyridine

• ChemBase ID: 297306
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: Cc1ccnc(c1)n1cccc1
• Canonical SMILES: Cc1ccnc(c1)n1cccc1
• InChI: InChI=1S/C10H10N2/c1-9-4-5-11-10(8-9)12-6-2-3-7-12/h2-8H,1H3
• InChIKey: IYQKSFDFSHYLNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(1H-pyrrol-1-yl)pyridine
• IUPAC Traditional name: 4-methyl-2-(pyrrol-1-yl)pyridine
• Synonyms: 4-Methyl-2-(1H-pyrrol-1-yl)pyridine; 4-Methyl-2-(1-pyrrolyl)pyridine

Database IDs

• MDL Number: MFCD02665532
• PubChem SID: 180682837
• PubChem CID: 21221499

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5452828
• LogD (pH = 7.4): 2.8199055
• Log P: 2.824971
• Molar Refractivity: 59.0082 cm^3
• Polarizability: 18.518694 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112°C/2.3mm

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%