6-ethylpyridine-2-carboxamide

• ChemBase ID: 292861
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: O=C(N)c1nc(CC)ccc1
• Canonical SMILES: CCc1cccc(n1)C(=O)N
• InChI: InChI=1S/C8H10N2O/c1-2-6-4-3-5-7(10-6)8(9)11/h3-5H,2H2,1H3,(H2,9,11)
• InChIKey: KLTLZURPIYLTIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethylpyridine-2-carboxamide
• IUPAC Traditional name: 6-ethylpyridine-2-carboxamide
• Synonyms: 6-Ethylpicolinamide

Database IDs

• CAS Number: 78210-61-4
• PubChem SID: 180678392
• PubChem CID: 17965099

CALCULATED PROPERTIES

• Acid pKa: 14.210257
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8238967
• LogD (pH = 7.4): 0.8239692
• Log P: 0.82397
• Molar Refractivity: 41.8259 cm^3
• Polarizability: 15.877745 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%