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126739-64-8

Basic Information
CAS No.: 126739-64-8
Name: 5-METHOXY-2-NITROPYRIDINE
Article Data: 1
Molecular Structure:
Molecular Structure of 126739-64-8 (5-METHOXY-2-NITROPYRIDINE)
Formula: C6H6N2O3
Molecular Weight: 154.12
Synonyms: 5-Methoxy-2-nitropyridine;
Density: 1.3 g/cm3
Boiling Point: 311.8 °C at 760 mmHg
Flash Point: 142.4 °C
PSA: 67.94000
LogP: 1.52160
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Specification

The Pyridine, 5-methoxy-2-nitro-, with the CAS registry number of 126739-64-8, is also known as 5-Methoxy-2-nitropyridine. This chemical's molecular formula is C6H6N2O3 and molecular weight is 154.12. What's more, its systematic name is called Pyridine, 5-methoxy-2-nitro-.

Physical properties about Pyridine, 5-methoxy-2-nitro- are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.6; (6)ACD/BCF (pH 7.4): 3.6; (7)ACD/KOC (pH 5.5): 87.13; (8)ACD/KOC (pH 7.4): 87.13; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.94 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 37.56 cm3; (15)Molar Volume: 118.5 cm3; (16)Surface Tension: 49 dyne/cm; (17)Density: 1.3 g/cm3; (18)Flash Point: 142.4 °C; (19)Enthalpy of Vaporization: 53.07 kJ/mol; (20)Boiling Point: 311.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00101 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(nc1)[N+](=O)[O-]
(2) InChI: InChI=1/C6H6N2O3/c1-11-5-2-3-6(7-4-5)8(9)10/h2-4H,1H3
(3) InChIKey: MWQMHHLIYVQKNM-UHFFFAOYAA