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59288-39-0

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Basic Information
CAS No.: 59288-39-0
Name: 3-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-6-IODO-
Molecular Structure:
Molecular Structure of 59288-39-0 (3-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-6-IODO-)
Formula: C6H4 I N O3
Molecular Weight: 265.007
Synonyms: 6-Iodo-5-hydroxynicotinicacid;5-Hydroxy-6-iodo-3-pyridinecarboxylic acid;5-hydroxy-6-iodopyridine-3-carboxylic acid;3-pyridinecarboxylic acid, 5-hydroxy-6-iodo-;
Density: 2.291g/cm3
Boiling Point: 442.505 °C at 760 mmHg
Flash Point: 221.42 °C
PSA: 70.42000
LogP: 1.09000
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Specification

The 6-Iodo-5-hydroxynicotinic acid with cas registry number of 59288-39-0, is also named 6-Iodo-5-hydroxynicotinicacid ; 5-Hydroxy-6-iodo-3-pyridinecarboxylic acid .

Physical properties of 6-Iodo-5-hydroxynicotinic acid :(1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 70.42 ?2; (11)Index of Refraction: 1.728; (12)Molar Refractivity: 46.063 cm3; (13)Molar Volume: 115.689 cm3; (14)Polarizability: 18.261 10-24cm3; (15)Surface Tension: 87.837 dyne/cm; (16)Enthalpy of Vaporization: 73.774 kJ/mol ; (17)Vapour Pressure: 0 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:c1c(cnc(c1O)I)C(=O)O; (2)InChI:InChI=1/C6H4INO3/c7-5-4(9)1-3(2-8-5)6(10)11/h1-2,9H,(H,10,11); (3)InChIKey:NYMYBMSOYUXVPZ-UHFFFAOYAH; (4)Std. InChI:InChI=1S/C6H4INO3/c7-5-4(9)1-3(2-8-5)6(10)11/h1-2,9H,(H,10,11); (5)Std. InChIKey:NYMYBMSOYUXVPZ-UHFFFAOYSA-N .