Name: 5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine
SKU: 885223-65-4

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Basic Information

Molecular Structure:
CAS No.:	885223-65-4
Name:	5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine

Formula:	C₇H₆BrN₃
Molecular Weight:	212.049
Synonyms:	1H-pyrazolo[3,4-b]pyridine, 5-bromo-3-methyl-;
Density:	1.756 g/cm³
Boiling Point:	339.695 °C at 760 mmHg
Flash Point:	159.242 °C
PSA:	41.57000
LogP:	2.02880

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Specification

The CAS register number of 5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine is 885223-65-4. It also can be called as 1H-pyrazolo[3,4-b]pyridine, 5-bromo-3-methyl- and the IUPAC name about this chemical is 5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine. The molecular formula about this chemical is C₇H₆BrN₃and molecular weight is 212.05.

Physical properties about 5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine are: (1)ACD/LogP: 0.88; (2)ACD/LogD (pH 5.5): 0.88; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 2.746; (5)ACD/BCF (pH 7.4): 2.687; (6)ACD/KOC (pH 5.5): 71.706; (7)ACD/KOC (pH 7.4): 70.176; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.57Å²; (11)Index of Refraction: 1.711; (12)Molar Refractivity: 47.226 cm³; (13)Molar Volume: 120.779 cm³; (14)Polarizability: 18.722x10^-24cm³; (15)Surface Tension: 68.247 dyne/cm; (16)Flash Point: 159.242 °C; (17)Enthalpy of Vaporization: 56.008 kJ/mol; (18)Boiling Point: 339.695 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c2cc(cnc2[nH]n1)Br
(2)InChI: InChI=1/C7H6BrN3/c1-4-6-2-5(8)3-9-7(6)11-10-4/h2-3H,1H3,(H,9,10,11)
(3)InChIKey: NHGRQAMIQCHTFI-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H6BrN3/c1-4-6-2-5(8)3-9-7(6)11-10-4/h2-3H,1H3,(H,9,10,11)
(5)Std. InChIKey: NHGRQAMIQCHTFI-UHFFFAOYSA-N