Basic Information | Post buying leads | Suppliers |
Name |
1H-Pyrazolo[4,3-b]pyridin-5(4H)one |
EINECS | N/A |
CAS No. | 52090-73-0 | Density | 1.443 g/cm3 |
PSA | 61.54000 | LogP | 0.25120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5N3O | Boiling Point | 520.352 °C at 760 mmHg |
Molecular Weight | 135.12 | Flash Point | 268.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,4-Dihydro-5H-pyrazolo[4,3-b]pyridin-5-one; |
The 1H-Pyrazolo[4,3-b]pyridin-5(4H)one, with the CAS registry number 52090-73-0, is also known as 5H-Pyrazolo[4,3-b]pyridin-5-one, 1,4-dihydro-. This chemical's molecular formula is C6H5N3O and molecular weight is 135.12. What's more, its systematic name is 1,4-Dihydropyrazolo[3,4-e]pyridin-5-one.
Physical properties of 1H-Pyrazolo[4,3-b]pyridin-5(4H)one are: (1)ACD/LogP: -0.202; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.20; (4)ACD/LogD (pH 7.4): -0.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 18.50; (8)ACD/KOC (pH 7.4): 18.50; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 57.78 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 34.034 cm3; (15)Molar Volume: 93.633 cm3; (16)Polarizability: 13.492×10-24cm3; (17)Surface Tension: 69.6 dyne/cm; (18)Density: 1.443 g/cm3; (19)Flash Point: 268.5 °C; (20)Enthalpy of Vaporization: 79.332 kJ/mol; (21)Boiling Point: 520.352 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/c2nncc2N1
(2)Std. InChI: InChI=1S/C6H5N3O/c10-6-2-1-4-5(8-6)3-7-9-4/h1-3H,(H,7,9)(H,8,10)
(3)Std. InChIKey: JKASUHLBAQPJRO-UHFFFAOYSA-N