Name: 5-METHOXY-1H-PYRAZOLO[4,3-B]PYRIDINE
SKU: 52090-71-8

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Basic Information

Molecular Structure:
CAS No.:	52090-71-8
Name:	5-METHOXY-1H-PYRAZOLO[4,3-B]PYRIDINE
Article Data:	4

Formula:	C₇H₇N₃O
Molecular Weight:	149.152
Synonyms:	5-Methoxy-1H-Pyrazolo[4,3-B]Pyridine;
Density:	1.328 g/cm³
Boiling Point:	299.283 °C at 760 mmHg
Flash Point:	109.776 °C
PSA:	50.80000
LogP:	0.96650

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Specification

The 1H-Pyrazolo[4,3-b]pyridine,5-methoxy-, with the CAS registry number 52090-71-8, is also known as 5-Methoxy-1H-Pyrazolo[4,3-B]Pyridine. This chemical's molecular formula is C₇H₇N₃O and molecular weight is 149.15. What's more, its systematic name is also called 5-Methoxy-1H-pyrazolo[4,3-b]pyridine.

Physical properties about 1H-Pyrazolo[4,3-b]pyridine,5-methoxy- are: (1)ACD/LogP: 2.23; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.214; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 28.128; (6)ACD/BCF (pH 7.4): 29.131; (7)ACD/KOC (pH 5.5): 375.359; (8)ACD/KOC (pH 7.4): 388.737; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.8Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 41.39 cm³; (15)Molar Volume: 112.322 cm³; (16)Polarizability: 16.408×10^-24cm³; (17)Surface Tension: 62.391 dyne/cm; (18)Density: 1.328 g/cm³; (19)Flash Point: 109.776 °C; (20)Enthalpy of Vaporization: 51.77 kJ/mol; (21)Boiling Point: 299.283 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc2c(n1)cn[nH]2
(2) InChI: InChI=1/C7H7N3O/c1-11-7-3-2-5-6(9-7)4-8-10-5/h2-4H,1H3,(H,8,10)
(3) InChIKey: UIANJOQZAUCZCR-UHFFFAOYAK