3-cyclopropylpyridine-2-carbaldehyde

• ChemBase ID: 796948
• Molecular Formular: C9H9NO
• Molecular Mass: 147.17386
• Monoisotopic Mass: 147.06841391
• SMILES: c1ccnc(c1C1CC1)C=O
• Canonical SMILES: O=Cc1ncccc1C1CC1
• InChI: InChI=1S/C9H9NO/c11-6-9-8(7-3-4-7)2-1-5-10-9/h1-2,5-7H,3-4H2
• InChIKey: QUTPVOFUDLUXHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylpyridine-2-carbaldehyde
• IUPAC Traditional name: 3-cyclopropylpyridine-2-carbaldehyde
• Synonyms: 3-Cyclopropylpicolinaldehyde

Database IDs

• CAS Number: 1256788-26-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9129789
• LogD (pH = 7.4): 1.9237627
• Log P: 1.923902
• Molar Refractivity: 42.4885 cm^3
• Polarizability: 16.045435 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%