6-(cyclopentyloxy)pyridine-3-carbaldehyde

• ChemBase ID: 297432
• Molecular Formular: C11H13NO2
• Molecular Mass: 191.22642
• Monoisotopic Mass: 191.09462866
• SMILES: c1cc(ncc1C=O)OC1CCCC1
• Canonical SMILES: O=Cc1ccc(nc1)OC1CCCC1
• InChI: InChI=1S/C11H13NO2/c13-8-9-5-6-11(12-7-9)14-10-3-1-2-4-10/h5-8,10H,1-4H2
• InChIKey: NQJPWJIUEZZENP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(cyclopentyloxy)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(cyclopentyloxy)pyridine-3-carbaldehyde
• Synonyms: 6-(Cyclopentyloxy)nicotinaldehyde; 2-Cyclopentyloxypyridine-5-carboxaldehyde; 6-环戊氧基吡啶-3-甲醛

Database IDs

• CAS Number: 916792-14-8
• MDL Number: MFCD08060943
• PubChem SID: 180682963
• PubChem CID: 42553151

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2595143
• LogD (pH = 7.4): 2.2595632
• Log P: 2.259564
• Molar Refractivity: 53.675 cm^3
• Polarizability: 20.485878 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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%