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1H-Pyrrolo[2,3-b]pyridine,3-ethenyl-

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Name

1H-Pyrrolo[2,3-b]pyridine,3-ethenyl-

EINECS N/A
CAS No. 145901-21-9 Density 1.191 g/cm3
PSA 28.68000 LogP 2.20590
Solubility N/A Melting Point N/A
Formula C9H8N2 Boiling Point 314.796 °C at 760 mmHg
Molecular Weight 144.176 Flash Point 141.695 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 145901-21-9 (1H-Pyrrolo[2,3-b]pyridine,3-ethenyl-(9CI)) Hazard Symbols N/A
Synonyms

3-Vinyl-1H-pyrrolo[2,3-b]pyridine;

Article Data 2

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

The 1H-Pyrrolo[2,3-b]pyridine,3-ethenyl-, with the CAS registry number 145901-21-9, is also known as 3-Vinyl-1H-pyrrolo[2,3-b]pyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C9H8N2 and molecular weight is 144.1732. What's more, its systematic name is called 3-Ethenyl-1H-pyrrolo[2,3-b]pyridine.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine,3-ethenyl- are: (1)ACD/LogP: 1.78; (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): 26; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 339; (8)ACD/KOC (pH 7.4): 424; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.68Å2; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 47.544 cm3; (15)Molar Volume: 121.043 cm3; (16)Polarizability: 18.848×10-24 cm3; (17)Surface Tension: 55.128 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 141.695 °C; (20)Enthalpy of Vaporization: 53.383 kJ/mol; (21)Boiling Point: 314.796 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cccc2c1ncc2\C=C
(2) InChI: InChI=1/C9H8N2/c1-2-7-6-11-9-8(7)4-3-5-10-9/h2-6H,1H2,(H,10,11)
(3) InChIKey: BMKZRLNIIGUAIU-UHFFFAOYAY

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