6-(dimethylamino)pyridine-3-carbaldehyde

• ChemBase ID: 43249
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: n1c(N(C)C)ccc(c1)C=O
• Canonical SMILES: O=Cc1ccc(nc1)N(C)C
• InChI: InChI=1S/C8H10N2O/c1-10(2)8-4-3-7(6-11)5-9-8/h3-6H,1-2H3
• InChIKey: IRDPUZWWWIDFQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(dimethylamino)pyridine-3-carbaldehyde
• Synonyms: 6-(Dimethylamino)pyridine-3-carboxaldehyde; 2-(Dimethylamino)-5-formylpyridine; 6-(dimethylamino)pyridine-3-carbaldehyde; 6-(Dimethylamino)nicotinaldehyde

Database IDs

• CAS Number: 149805-92-5
• MDL Number: MFCD08272100
• PubChem SID: 162048012
• PubChem CID: 11240577

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.99319744
• LogD (pH = 7.4): 1.1677814
• Log P: 1.1705772
• Molar Refractivity: 45.2272 cm^3
• Polarizability: 16.146484 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51-53°C; 57 - 59 °C; 57-59°C
• Hydrophobicity(logP): 1.284

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 98%