Molecular modeling analysis: "Why is 2-hydroxypyridine soluble in water but not 3-hydroxypyridine?"

Journal of Molecular Modeling

Volumn 8, Issue 3, 2002, Pages 81-86

  Huq, Fazlul ^a   Yu, Jun Qing ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

Amine; Energy of hydration; Hydroxypyridine; Planar; Solubility in water; Transplatinum

Indexed keywords

3 HYDROXYPYRIDINE; AMPHOLYTE; HYDROGEN; PYRIDINOL; WATER;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONTROLLED STUDY; CRYSTAL STRUCTURE; DISSOLUTION; ENERGY CONSUMPTION; HYDROGEN BOND; MATHEMATICAL COMPUTING; MELTING POINT; MOLECULAR MECHANICS; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; SOLUBILITY;

ANTINEOPLASTIC AGENTS; HEAT; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; PYRIDINES; PYRIDONES; SOLUBILITY; SOLVENTS; SPECTRUM ANALYSIS; WATER;

EID: 0036974192     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-002-0073-1     Document Type: Article

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