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| CAS No.: | 929617-35-6 |
|---|---|
| Name: | 5-Bromo-1H-pyrazolo[3,4-c]pyridine |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C6H4BrN3 |
| Molecular Weight: | 198.022 |
| Synonyms: | 6-Aza-5-bromo-1H-indazole; |
| EINECS: | 200-589-5 |
| Density: | 1.894 g/cm3 |
| Boiling Point: | 384 °C at 760 mmHg |
| Flash Point: | 186 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 41.57000 |
| LogP: | 1.72040 |
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Specification
The 5-Bromo-1H-pyrazolo[3,4-c]pyridine, with the CAS registry number 929617-35-6, is also known as 6-Aza-5-bromo-1H-indazole. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C6H4BrN3 and molecular weight is 198.02006. Its IUPAC name is called 5-bromo-1H-pyrazolo[3,4-c]pyridine.
Physical properties of 5-Bromo-1H-pyrazolo[3,4-c]pyridine: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): 1.11; (3)ACD/LogD (pH 7.4): 1.13; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)Index of Refraction: 1.745; (7)Molar Refractivity: 42.4 cm3; (8)Molar Volume: 104.5 cm3; (9)Surface Tension: 76.9 dyne/cm; (10)Density: 1.894 g/cm3; (11)Flash Point: 186 °C; (12)Enthalpy of Vaporization: 60.79 kJ/mol; (13)Boiling Point: 384 °C at 760 mmHg; (14)Vapour Pressure: 9.32E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C=NNC2=CN=C1Br
(2)InChI: InChI=1S/C6H4BrN3/c7-6-1-4-2-9-10-5(4)3-8-6/h1-3H,(H,9,10)
(3)InChIKey: AVTKMQORQDZRPF-UHFFFAOYSA-N