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| CAS No.: | 3670-59-5 |
|---|---|
| Name: | 6-Hydroxynicotinamide |
| Molecular Structure: | |
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| Formula: | C6H6N2O2 |
| Molecular Weight: | 138.126 |
| Synonyms: | Nicotinamide,1,6-dihydro-6-oxo- (8CI);Nicotinamide,6-hydroxy- (5CI);6-Hydroxynicotinamide; |
| Density: | 1.354 g/cm3 |
| Melting Point: | 313.0-314.4 °C |
| Boiling Point: | 466.3 °C at 760 mmHg |
| Flash Point: | 235.8 °C |
| PSA: | 76.21000 |
| LogP: | 0.58640 |
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Specification
The 6-Hydroxynicotinamide, with the CAS registry number 3670-59-5, is also known as 3-Pyridinecarboxamide,1,6-dihydro-6-oxo- and 1,6-Dihydro-6-oxo-3-pyridinecarboxamide. It belongs to the product category of Amide. This chemical's molecular formula is C6H6N2O2 and molecular weight is 138.12. What's more, its IUPAC name is 6-oxo-1H-Pyridine-3-carboxamide. And systematic name of the 6-Hydroxynicotinamide is called 6-oxo-1,6-Dihydropyridine-3-carboxamide.
Physical properties about 6-Hydroxynicotinamide are: (1) ACD/LogP: -1.86; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.86; (4) ACD/LogD (pH 7.4): -1.86; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 2.32; (8) ACD/KOC (pH 7.4): 2.32; (9) #H bond acceptors: 4; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 40.62 Å2; (13) Index of Refraction: 1.578; (14) Molar Refractivity: 33.84 cm3; (15) Molar Volume: 101.9 cm3; (16) Surface Tension: 57.2 dyne/cm; (17) Density: 1.354 g/cm3; (18) Flash Point: 235.8 °C; (19) Enthalpy of Vaporization: 72.81 kJ/mol; (20) Boiling Point: 466.3 °C at 760 mmHg; (21) Vapour Pressure: 7.14E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1=CC(=O)NC=C1C(=O)N
(2) InChI: InChI=1S/C6H6N2O2/c7-6(10)4-1-2-5(9)8-3-4/h1-3H,(H2,7,10)(H,8,9)
(3) InChIKey: NGPNYDVHEUXWIA-UHFFFAOYSA-N