Name: ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate
SKU: 1053656-33-9

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Basic Information

Molecular Structure:
CAS No.:	1053656-33-9
Name:	ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate

Formula:	C₉H₉N₃O₂
Molecular Weight:	191.189
Synonyms:	ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate;
Density:	1.339 g/cm³
Boiling Point:	385.9 °C at 760 mmHg
Flash Point:	187.2 °C
PSA:	67.87000
LogP:	1.13460

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Specification

This chemical is called Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate, and it can also be named as 1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid, ethyl ester. With the molecular formula of C₉H₉N₃O₂, its molecular weight is 191.19. The CAS registry number of this chemical is 1053656-33-9, and its product category is Chiral Chemicals.

Other characteristics of the Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate can be summarised as followings: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.82; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 67.87 Å²; (9)Index of Refraction: 1.635; (10)Molar Refractivity: 51.11 cm³; (11)Molar Volume: 142.7 cm³; (12)Polarizability: 20.26×10^-24cm³; (13)Surface Tension: 63.9 dyne/cm; (14)Density: 1.339 g/cm³; (15)Flash Point: 187.2 °C; (16)Enthalpy of Vaporization: 63.47 kJ/mol; (17)Boiling Point: 385.9 °C at 760 mmHg; (18)Vapour Pressure: 3.69E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c2nnc1cnccc12
2.InChI: InChI=1/C9H9N3O2/c1-2-14-9(13)8-6-3-4-10-5-7(6)11-12-8/h3-5H,2H2,1H3,(H,11,12)
3.InChIKey: DEBPRNDMJGKCBA-UHFFFAOYAP