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| CAS No.: | 849067-90-9 |
|---|---|
| Name: | 1H-PYRROLO[2,3-B]PYRIDINE-5-CARBALDEHYDE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H5N2O |
| Molecular Weight: | 146.148 |
| Synonyms: | 1H-PYRROLO[2,3-B]PYRIDINE-5-CARBALDEHYDE;7-AZAINDOLE-5-CARBOXALDEHYDE;1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde;7-Azaindole-5-carbaldehyde;7-Azaindole-5-carbaldehyd... |
| Density: | 1.368 g/cm3 |
| Melting Point: | 181-182 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 45.75000 |
| LogP: | 1.37540 |
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- Total:37 Page 1 of 1 1
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Specification
The 7-Azaindole-5-carboxaldehyde is an organic compound with the formula C8H5N2O. The systematic name of this chemical is 1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde. With the CAS registry number 849067-90-9, it is also named as 1H-Pyrrolo[2,3-b]pyridin-5-carbaldehyd.
Physical properties about 7-Azaindole-5-carboxaldehyde are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.66; (4)ACD/BCF (pH 5.5): 10.76; (5)ACD/BCF (pH 7.4): 10.79; (6)ACD/KOC (pH 5.5): 190.45; (7)ACD/KOC (pH 7.4): 190.96; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.75 Å2; (12)Index of Refraction: 1.747; (13)Molar Refractivity: 43.37 cm3; (14)Molar Volume: 106.7 cm3; (15)Polarizability: 17.19×10-24cm3; (16)Surface Tension: 71 dyne/cm; (17)Density: 1.368 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc2ccnc2nc1
(2)InChI: InChI=1/C8H6N2O/c11-5-6-3-7-1-2-9-8(7)10-4-6/h1-5H,(H,9,10)
(3)InChIKey: HDANOCTXZFZIHB-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H6N2O/c11-5-6-3-7-1-2-9-8(7)10-4-6/h1-5H,(H,9,10)
(5)Std. InChIKey: HDANOCTXZFZIHB-UHFFFAOYSA-N