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| CAS No.: | 55052-27-2 |
|---|---|
| Name: | 6-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE |
| Molecular Structure: | |
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| Formula: | C7H5ClN2 |
| Molecular Weight: | 152.583 |
| Synonyms: | 6-Chloro-1H-pyrrolo[2,3-b]pyridine;6-Chloro-7-azaindole;7-Aza-6-chloroindole; |
| EINECS: | 809-416-4 |
| Density: | 1.425 g/cm3 |
| Melting Point: | 170-175℃ |
| Boiling Point: | 304.9 °C at 760 mmHg |
| Flash Point: | 166.8 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 28.68000 |
| LogP: | 2.21630 |
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Specification
The 6-Chloro-7-azaindole, with the CAS registry number 55052-27-2, is also known as 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-. This chemical's molecular formula is C7H5ClN2 and molecular weight is 152.58. What's more, both its IUPAC name and systematic name are the same which is called 6-Chloro-1H-pyrrolo[2,3-b]pyridine.
Physical properties about 6-Chloro-7-azaindole are: (1) ACD/LogP: 2.45; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.45; (4) ACD/LogD (pH 7.4): 2.45; (5) ACD/BCF (pH 5.5): 42.48; (6) ACD/BCF (pH 7.4): 42.56; (7) ACD/KOC (pH 5.5): 509.11; (8) ACD/KOC (pH 7.4): 510.09; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 17.82 Å2; (13) Index of Refraction: 1.703; (14) Molar Refractivity: 41.51 cm3; (15) Molar Volume: 107 cm3; (16) Surface Tension: 62.2 dyne/cm; (17) Density: 1.425 g/cm3; (18) Flash Point: 166.8 °C; (19) Enthalpy of Vaporization: 52.35 kJ/mol; (20) Boiling Point: 304.9 °C at 760 mmHg; (21) Vapour Pressure: 0.00153 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc2c(cc1)ccn2
(2) InChI:InChI=1/C7H5ClN2/c8-6-2-1-5-3-4-9-7(5)10-6/h1-4H,(H,9,10)
(3) InChIKey: DSCOSIUAQUDGJM-UHFFFAOYAC