4-(3-hydroxyphenoxy)pyridine-2-carboxamide

• ChemBase ID: 245477
• Molecular Formular: C12H10N2O3
• Molecular Mass: 230.2194
• Monoisotopic Mass: 230.06914219
• SMILES: c1(C(=O)N)cc(Oc2cc(O)ccc2)ccn1
• Canonical SMILES: Oc1cccc(c1)Oc1ccnc(c1)C(=O)N
• InChI: InChI=1S/C12H10N2O3/c13-12(16)11-7-10(4-5-14-11)17-9-3-1-2-8(15)6-9/h1-7,15H,(H2,13,16)
• InChIKey: POLKWFIYLQLDNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-hydroxyphenoxy)pyridine-2-carboxamide
• IUPAC Traditional name: 4-(3-hydroxyphenoxy)pyridine-2-carboxamide
• Synonyms: 4-(3-hydroxyphenoxy)pyridine-2-carboxamide

Database IDs

• MDL Number: MFCD13159490
• PubChem SID: 164301387
• PubChem CID: 60870866

CALCULATED PROPERTIES

• Acid pKa: 9.097719
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1885229
• LogD (pH = 7.4): 1.1802136
• Log P: 1.1887859
• Molar Refractivity: 60.8292 cm^3
• Polarizability: 23.22139 Å^3
• Polar Surface Area: 85.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 1.575

Product Information

• Purity: 95%