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Name |
6-Cyano-7-azaindole |
EINECS | 251-156-6 |
CAS No. | 189882-33-5 | Density | 1.34 g/cm3 |
PSA | 52.47000 | LogP | 1.43458 |
Solubility | N/A | Melting Point |
187.4 °C |
Formula | C8H5N3 | Boiling Point | 373.2 °C at 760 mmHg |
Molecular Weight | 143.148 | Flash Point | 127.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Cyano-1H-pyrrolo[2,3-b]pyridine; |
Article Data | 13 |
The IUPAC name of 6-Cyano-7-azaindole is 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile. With the CAS registry number 189882-33-5, it is also named as 6-Cyano-1H-pyrrolo[2,3-b]pyridine. The product's category is Pyridine. In addition, its molecular formula is C8H5N3 and its molecular weight is 143.14.
The other characteristics of 6-Cyano-7-azaindole can be summarized as: (1)ACD/LogP: 1.70; (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): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 346; (8)ACD/KOC (pH 7.4): 346; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.47 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 40.601 cm3; (15)Molar Volume: 106.854 cm3; (16)Polarizability: 16.095×10-24cm3; (17)Surface Tension: 75.365 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 127.338 °C; (20)Enthalpy of Vaporization: 62.04 kJ/mol; (21)Boiling Point: 373.169 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:N#Cc1nc2c(cc1)ccn2
(2)InChI:InChI=1/C8H5N3/c9-5-7-2-1-6-3-4-10-8(6)11-7/h1-4H,(H,10,11)
(3)InChIKey:GAFBPZMOMITHLG-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C8H5N3/c9-5-7-2-1-6-3-4-10-8(6)11-7/h1-4H,(H,10,11)
(5)Std. InChIKey:GAFBPZMOMITHLG-UHFFFAOYSA-N