1H-Pyrazolo[4,3-b]pyridine (272-52-6)

The IUPAC name of 1H-Pyrazolo[4,3-beta]pyridine is 1H-Pyrazolo[4,3-b]pyridine. With the CAS registry number 272-52-6, it is also named as Pyrazolopyridine. In addition, its molecular formula is C₆H₅N₃ and its molecular weight is 119.12. 

The other characteristics of 1H-Pyrazolo[4,3-beta]pyridine can be summarized as: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.145; (4)ACD/LogD (pH 7.4): 1.157; (5)ACD/BCF (pH 5.5): 4.341; (6)ACD/BCF (pH 7.4): 4.461; (7)ACD/KOC (pH 5.5): 98.766; (8)ACD/KOC (pH 7.4): 101.484; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 34.711 cm³; (15)Molar Volume: 88.319 cm³; (16)Polarizability: 13.761×10^-24cm³; (17)Surface Tension: 73.965 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 145.716 °C; (20)Enthalpy of Vaporization: 51.272 kJ/mol; (21)Boiling Point: 294.466 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc2c(cn[nH]2)nc1
(2)InChI:InChI=1/C6H5N3/c1-2-5-6(7-3-1)4-8-9-5/h1-4H,(H,8,9)
(3)InChIKey:AMFYRKOUWBAGHV-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C6H5N3/c1-2-5-6(7-3-1)4-8-9-5/h1-4H,(H,8,9)
(5)Std. InChIKey:AMFYRKOUWBAGHV-UHFFFAOYSA-N