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Name |
1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile |
EINECS | 214-589-6 |
CAS No. | 146767-63-7 | Density | 1.34 g/cm3 |
PSA | 52.47000 | LogP | 1.43458 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5N3 | Boiling Point | 373.169 °C at 760 mmHg |
Molecular Weight | 143.148 | Flash Point | 127.338 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile(9CI); |
Article Data | 3 |
This chemical's CAS registry number is 146767-63-7 and it belongs to the product category of Pyridine. This chemical's molecular formula is C8H5N3 and molecular weight is 143.1454. What's more, both the product name and systematic name are the same which is called 1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile.
Physical properties about this chemical are: (1)ACD/LogP: 1.58; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 91; (8)ACD/KOC (pH 7.4): 91; (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: 16.095×10-24 cm3; (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.
Preparation of 1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile: this chemical can be prepared by Trimethyl-silanecarbonitrile and 4-Oxy-pyrrolo[3,2-b]pyridine-1-carboxylic acid ethyl ester.
This reaction needs reagent Triethylamine. The reaction time is 16 hours. The yield is 32 %.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1nc2c(cc1)ncc2
(2) InChI: InChI=1/C8H5N3/c9-5-6-1-2-7-8(11-6)3-4-10-7/h1-4,10H
(3) InChIKey: YSSSUMUGHHKGCO-UHFFFAOYAL