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CAS No.: | 86869-14-9 |
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Name: | 2-Cyano-5-hydroxypyridine |
Molecular Structure: | |
Formula: | C6H4N2O |
Molecular Weight: | 120.11 |
Synonyms: | 6-Cyano-3-pyridinol; |
EINECS: | 1312995-182-4 |
Density: | 1.332 g/cm3 |
Boiling Point: | 429.228 °C at 760 mmHg |
Flash Point: | 213.39 °C |
Safety: | 24/25 |
PSA: | 56.91000 |
LogP: | 0.65888 |
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The 2-Cyano-5-hydroxypyridine, with the CAS registry number 86869-14-9, is also known as 6-Cyano-3-pyridinol. It belongs to the product categories of Pyridine series; Pyridine. This chemical's molecular formula is C6H4N2O and molecular weight is 120.11. What's more, its systematic name is 5-Hydroxy-2-pyridinecarbonitrile.
Physical properties of 2-Cyano-5-hydroxypyridine are: (1)ACD/LogP: 0.371; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): -0.69; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 33.28; (8)ACD/KOC (pH 7.4): 3.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.91 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 30.647 cm3; (15)Molar Volume: 90.145 cm3; (16)Polarizability: 12.15×10-24cm3; (17)Surface Tension: 73.3 dyne/cm; (18)Density: 1.332 g/cm3; (19)Flash Point: 213.39 °C; (20)Enthalpy of Vaporization: 71.096 kJ/mol; (21)Boiling Point: 429.228 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cnc(C#N)cc1
(2)Std. InChI: InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)4-8-5/h1-2,4,9H
(3)Std. InChIKey: YUEKWNYGXNDQRO-UHFFFAOYSA-N