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| CAS No.: | 824-52-2 |
|---|---|
| Name: | 5-METHYL-1H-PYRROLO[2,3-B]PYRIDINE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C8H8N2 |
| Molecular Weight: | 132.165 |
| Synonyms: | 5-Methylpyrrolo[2,3-b]pyridine; |
| Density: | 1.186 g/cm3 |
| Melting Point: | 138-139 °C |
| Boiling Point: | 365.4±15.0 °C(Predicted) |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22-38-41 |
| Safety: | 26-39 |
| PSA: | 28.68000 |
| LogP: | 1.87130 |
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Specification
The 1H-Pyrrolo[2,3-b]pyridine,5-methyl-, with the CAS registry number 824-52-2, is also known as 5-Methylpyrrolo[2,3-b]pyridine. It belongs to the product category of Heterocycles Series. This chemical's molecular formula is C8H8N2 and molecular weight is 132.1625. Its systematic name is called 5-methyl-1H-pyrrolo[2,3-b]pyridine. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 1H-Pyrrolo[2,3-b]pyridine,5-methyl-: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 2.05; (3)ACD/LogD (pH 7.4): 2.28; (4)ACD/BCF (pH 5.5): 18.62; (5)ACD/BCF (pH 7.4): 31.55; (6)ACD/KOC (pH 5.5): 242.4; (7)ACD/KOC (pH 7.4): 410.67; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.666; (11)Molar Refractivity: 41.44 cm3; (12)Molar Volume: 111.3 cm3; (13)Surface Tension: 54.4 dyne/cm; (14)Density: 1.186 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2ccnc2nc1
(2)InChI: InChI=1/C8H8N2/c1-6-4-7-2-3-9-8(7)10-5-6/h2-5H,1H3,(H,9,10)
(3)InChIKey: DJCJHFFRHKGOCQ-UHFFFAOYAZ