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CAS No.: | 34658-67-8 |
---|---|
Name: | 2-(3-nitrophenyl)H-iMidazo[1,2-a]pyridine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C13H9N3O2 |
Molecular Weight: | 239.233 |
Synonyms: | 2-(3-Nitrophenyl)-4-hydroimidazo[1,2-a]pyridine; |
Density: | 1.34 g/cm3 |
PSA: | 63.12000 |
LogP: | 3.43270 |
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The Imidazo[1,2-a]pyridine, 2-(3-nitrophenyl)-, with the CAS registry number 34658-67-8, is also known as 2-(3-Nitrophenyl)-4-hydroimidazo[1,2-a]pyridine. This chemical's molecular formula is C13H9N3O2 and molecular weight is 239.2295. What's more, both its IUPAC name and systematic name are the same which is called 2-(3-Nitrophenyl)imidazo[1,2-a]pyridine.
Physical properties about Imidazo[1,2-a]pyridine, 2-(3-nitrophenyl)- are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 78.21; (6)ACD/BCF (pH 7.4): 98.74; (7)ACD/KOC (pH 5.5): 737.31; (8)ACD/KOC (pH 7.4): 930.81; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.12 Å2; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 67.47 cm3; (15)Molar Volume: 177.2 cm3; (16)Polarizability: 26.75×10-24 cm3; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.34 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cccc(c1nc2ccccn2c1)c3
(2)InChI: InChI=1/C13H9N3O2/c17-16(18)11-5-3-4-10(8-11)12-9-15-7-2-1-6-13(15)14-12/h1-9H
(3)InChIKey: SPUPFENARGKGHC-UHFFFAOYAF