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CAS No.: | 517918-95-5 |
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Name: | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C8H5N3 |
Molecular Weight: | 143.148 |
Synonyms: | 5-Cyano-1H-pyrrolo[2,3-b]pyridine;5-Cyano-7-Azaindole; |
EINECS: | 1806241-263-5 |
Density: | 1.34 g/cm3 |
Melting Point: | 225.1-225.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37 |
PSA: | 52.47000 |
LogP: | 1.43458 |
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The 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, with the CAS registry number 517918-95-5, is also known as 5-Cyano-7-azaindole. It belongs to the product categories of Pyridine; Boron, Nitrile, Thio,& TM-Cpds; Heterocycles. This chemical's molecular formula is C8H5N3 and molecular weight is 143.1454. Its IUPAC name is called 1H-pyrrolo[2,3-b]pyridine-5-carbonitrile. 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-carbonitrile: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 325; (8)ACD/KOC (pH 7.4): 325; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 40.601 cm3; (14)Molar Volume: 106.854 cm3; (15)Surface Tension: 75.365 dyne/cm; (16)Density: 1.34 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CNC2=C1C=C(C=N2)C#N
(2)InChI: InChI=1S/C8H5N3/c9-4-6-3-7-1-2-10-8(7)11-5-6/h1-3,5H,(H,10,11)
(3)InChIKey: DRAQIXNADYAISI-UHFFFAOYSA-N