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CAS No.: | 88751-06-8 |
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Name: | 5-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H8N2O2 |
Molecular Weight: | 176.175 |
Synonyms: | 5-Methylimidazo[1,2-a]pyridine-2-carboxylicacid;5-methylimidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid, 5-methyl-; |
Density: | 1.35 g/cm3 |
Melting Point: | 247-249 °C(Solv: methanol (67-56-1)) |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 54.60000 |
LogP: | 1.34090 |
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The Imidazo[1,2-a]pyridine-2-carboxylicacid, 5-methyl-, with the CAS registry number 88751-06-8, has the systematic name of 5-methylimidazo[1,2-a]pyridine-2-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H8N2O2.
The characteristics of Imidazo[1,2-a]pyridine-2-carboxylicacid, 5-methyl- are as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 47.44 cm3; (15)Molar Volume: 129.5 cm3; (16)Polarizability: 18.81×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.35 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1nc2cccc(n2c1)C
(2)InChI: InChI=1/C9H8N2O2/c1-6-3-2-4-8-10-7(9(12)13)5-11(6)8/h2-5H,1H3,(H,12,13)
(3)InChIKey: ITABKLPNHAGZEG-UHFFFAOYAY