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CAS No.: | 1190321-17-5 |
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Name: | 5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H8N2O |
Molecular Weight: | 160.17 |
Synonyms: | 5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde; |
Density: | 1.301 g/cm3 |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 45.75000 |
LogP: | 1.68380 |
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The 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-methyl-, with the CAS registry number 1190321-17-5, is also known as 5-Methoxythiophene-2-boronic acid pinacol ester. This chemical's molecular formula is C9H8N2O and molecular weight is 160.17. What's more, its systematic name is 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.
Physical properties of 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-methyl- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.76; (6)ACD/BCF (pH 7.4): 10.97; (7)ACD/KOC (pH 5.5): 189.55; (8)ACD/KOC (pH 7.4): 193.24; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 48.19 cm3; (15)Molar Volume: 123 cm3; (16)Polarizability: 19.1×10-24cm3; (17)Surface Tension: 63.6 dyne/cm; (18)Density: 1.301 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2c(nc1)ncc2C=O
(2)InChI: InChI=1S/C9H8N2O/c1-6-2-8-7(5-12)4-11-9(8)10-3-6/h2-5H,1H3,(H,10,11)
(3)InChIKey: AWKPQZFWCIMWEH-UHFFFAOYSA-N