1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile supplier

Name
1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile(9CI)
EINECS 214-589-6
CAS No. 146767-63-7
Article Data3
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₈H₅N₃
Boiling Point 373.169 °C at 760 mmHg
Molecular Weight 143.148
Flash Point 127.338 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile(9CI);
PSA 52.47000
LogP 1.43458

1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile Specification

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.

1H-Pyrrolo[3,2-b]pyridine-5-carbonitrilel 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

Product Name

1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile(9CI)

1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile Specification

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