6-(diethylamino)pyridine-3-carbaldehyde

• ChemBase ID: 101783
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: n1c(N(CC)CC)ccc(c1)C=O
• Canonical SMILES: CCN(c1ccc(cn1)C=O)CC
• InChI: InChI=1S/C10H14N2O/c1-3-12(4-2)10-6-5-9(8-13)7-11-10/h5-8H,3-4H2,1-2H3
• InChIKey: PCISUIMHLSRKGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(diethylamino)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(diethylamino)pyridine-3-carbaldehyde
• Synonyms: 6-(diethylamino)-3-pyridinylaldehyde

Database IDs

• CAS Number: 578726-67-7
• MDL Number: MFCD06200894
• PubChem SID: 162088239
• PubChem CID: 2794806

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7266254
• LogD (pH = 7.4): 1.8817735
• Log P: 1.8841931
• Molar Refractivity: 54.7244 cm^3
• Polarizability: 19.827349 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%