Basic information
- Name:
3-Pyridinecarbonitrile,5-hydroxy-
- Superlist Name:
- 5-Hydroxynicotinonitrile
- CAS No.:
152803-24-2
- Molecular Structure:
- Formula:
- C6H4N2O
- Molecular Weight:
- 120.11
- Synonyms:
- 5-hydroxypyridine-3-carbonitrile;5-hydroxynicotinonitrile;
- Density:
- 1.332 g/cm3
- Boiling Point:
- 394.737 °C at 760 mmHg
- Flash Point:
- 192.53 °C
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Specification
The 5-Hydroxynicotinonitrile, with the CAS registry number 152803-24-2, has the systematic name of 5-hydroxypyridine-3-carbonitrile. It belongs to the product categories of Pyridine; Heterocyclic Compounds. And the molecular formula of this chemical is C6H4N2O.
The physical properties of 5-Hydroxynicotinonitrile are as followings: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 103; (8)ACD/KOC (pH 7.4): 28; (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: 73.331 dyne/cm; (18)Density: 1.332 g/cm3; (19)Flash Point: 192.53 °C; (20)Enthalpy of Vaporization: 66.997 kJ/mol; (21)Boiling Point: 394.737 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cncc(O)c1
(2)InChI: InChI=1/C6H4N2O/c7-2-5-1-6(9)4-8-3-5/h1,3-4,9H
(3)InChIKey: KAXIYYPIORYZLB-UHFFFAOYAR
