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109151-82-8

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Basic Information
CAS No.: 109151-82-8
Name: 3H-Imidazo[4,5-b]pyridine, 7-nitro-
Molecular Structure:
Molecular Structure of 109151-82-8 (3H-Imidazo[4,5-b]pyridine, 7-nitro-)
Formula: C6H4N4O2
Molecular Weight: 164.1216
Synonyms: 1H-Imidazo[4,5-b]pyridine,7-nitro- (9CI);Imidazo[4,5-c]pyridine, 7-nitro-(6CI);6-Nitro-1-deazapurine;
Density: 1.792 g/cm3
Boiling Point: 285.846 °C at 760 mmHg
Flash Point: 126.675 °C
PSA: 87.39000
LogP: 1.38930
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Specification

The 3H-Imidazo[4, 5-b]pyridine, 7-nitro-, with the CAS registry number 109151-82-8, is also known as 7-Nitro-2H-imidazo[4, 5-d]pyridine. This chemical's molecular formula is C6H4N4O2 and molecular weight is 164.1216. What's more, its systematic name is 7-Nitro-2H-imidazo[4, 5-c]pyridine.

Physical properties about 3H-Imidazo[4, 5-b]pyridine, 7-nitro- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.933; (5)ACD/KOC (pH 7.4): 9.934; (6)#H bond acceptors: 6; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 82.9 Å2; (10)Index of Refraction: 1.822; (11)Molar Refractivity: 39.917 cm3; (12)Molar Volume: 91.56 cm3; (13)Polarizability: 15.824×10-24 cm3; (14)Surface Tension: 88.909 dyne/cm; (15)Density: 1.792 g/cm3; (16)Flash Point: 126.675 °C; (17)Enthalpy of Vaporization: 50.385 kJ/mol; (18)Boiling Point: 285.846 °C at 760 mmHg; (19)Vapour Pressure: 0.005 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c2=NCN=c2c(cn1)[N+](=O)[O-]
(2) InChI: InChI=1/C6H4N4O2/c11-10(12)5-2-7-1-4-6(5)9-3-8-4/h1-2H,3H2
(3) InChIKey: ZTLCLEVKEULVAA-UHFFFAOYAO