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933752-89-7

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Basic Information
CAS No.: 933752-89-7
Name: 6-Methylimidazo[1,2-a]pyridine-3-carbaldehyde
Article Data: 10
Molecular Structure:
Molecular Structure of 933752-89-7 (6-Methylimidazo[1,2-a]pyridine-3-carbaldehyde)
Formula: C9H8N2O
Molecular Weight: 160.175
Synonyms: Imidazo[1,2-a]pyridine-3-carboxaldehyde, 2-methyl-;
Density: 1.21 g/cm3
PSA: 34.37000
LogP: 1.45520
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Specification

The systematic name of 6-Methylimidazo[1,2-alpha]pyridine-3-carbaldehyde is 2-Methylimidazo[1,2-a]pyridine-3-carbaldehyde. With the CAS registry number 933752-89-7, it is also named as Imidazo[1,2-a]pyridine-3-carboxaldehyde, 2-methyl-. In addition, its molecular formula is C9H8N2O and its molecular weight is 160.17. 

The other characteristics of 6-Methylimidazo[1,2-alpha]pyridine-3-carbaldehyde can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 4.46; (6)ACD/BCF (pH 7.4): 5.08; (7)ACD/KOC (pH 5.5): 97.71; (8)ACD/KOC (pH 7.4): 111.27; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.37 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 46.59 cm3; (15)Molar Volume: 132.2 cm3; (16)Polarizability: 18.47×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.21 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=Cc1c(nc2ccccn12)C
(2)InChI:InChI=1/C9H8N2O/c1-7-8(6-12)11-5-3-2-4-9(11)10-7/h2-6H,1H3
(3)InChIKey:MCSIFRRJDAQKML-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C9H8N2O/c1-7-8(6-12)11-5-3-2-4-9(11)10-7/h2-6H,1H3
(5)Std. InChIKey:MCSIFRRJDAQKML-UHFFFAOYSA-N