2-(dimethylamino)pyridine-3-carbaldehyde

• ChemBase ID: 18084
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(c(C=O)cccn1)N(C)C
• Canonical SMILES: O=Cc1cccnc1N(C)C
• InChI: InChI=1S/C8H10N2O/c1-10(2)8-7(6-11)4-3-5-9-8/h3-6H,1-2H3
• InChIKey: VVVIFWBMZJTEDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 35567-32-9
• MDL Number: MFCD07381372
• PubChem SID: 160981391
• PubChem CID: 6486610

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9126422
• LogD (pH = 7.4): 1.1660445
• Log P: 1.1705772
• Molar Refractivity: 45.2272 cm^3
• Polarizability: 16.148102 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

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

Product Information

• Purity: >95%