4-methoxypyridine-2-carboxamide

• ChemBase ID: 16343
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1cnc(cc1OC)C(=O)N
• Canonical SMILES: COc1ccnc(c1)C(=O)N
• InChI: InChI=1S/C7H8N2O2/c1-11-5-2-3-9-6(4-5)7(8)10/h2-4H,1H3,(H2,8,10)
• InChIKey: DYHMIVKBJSIOCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypyridine-2-carboxamide
• IUPAC Traditional name: 4-methoxypyridine-2-carboxamide
• Synonyms: 4-Methoxy-pyridine-2-carboxylic acid amide; 4-Methoxypyridine-2-carboxamide 97%; 4-Methoxy-pyridine-2-carboxylic acid amide; 4-Methoxypicolinamide

Database IDs

• CAS Number: 90151-10-3
• MDL Number: MFCD00955999
• PubChem SID: 160979650
• PubChem CID: 5214209

CALCULATED PROPERTIES

• Acid pKa: 13.696704
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.16618006
• LogD (pH = 7.4): -0.16561437
• Log P: -0.16560726
• Molar Refractivity: 39.0707 cm^3
• Polarizability: 14.827408 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149.3°C; 149-150°C

Safety Information

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

Product Information

• Purity: 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C7H8N2O2

DETAILS

Sigma Aldrich - ADE000336

Other Notes
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