3-Acetyl-7(1H)-azaindole supplier

Name
Ethanone, 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- (9CI)
EINECS
CAS No. 83393-46-8
Article Data15
CAS DataBase
Density 1.265 g/cm³
Solubility
Melting Point 202-206°C
Formula C₉H₈N₂O
Boiling Point
Molecular Weight 160.175
Flash Point
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36/37/38-43
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Pyrrolo[2,3-b]pyridine,ethanone deriv.;1-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethanone;3-Acetyl-7(1H)-azaindole;
PSA 45.75000
LogP 1.76550

3-Acetyl-7(1H)-azaindole Specification

The CAS register number of 3-Acetyl-7(1H)-azaindole is 83393-46-8. It also can be called as 3-Acetyl-1H-pyrrolo[2,3-b]pyridine and the systematic name about this chemical is 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone. It belongs to the Acetylgroup.

Physical properties about 3-Acetyl-7(1H)-azaindole are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 12; (5)ACD/BCF (pH 7.4): 12; (6)ACD/KOC (pH 5.5): 206; (7)ACD/KOC (pH 7.4): 207; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.75Å²; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 46.648 cm³; (14)Molar Volume: 126.626 cm³; (15)Polarizability: 18.493x10^-24cm³; (16)Surface Tension: 58.397 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c2cnc1ncccc12
(2)InChI: InChI=1/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11)
(3)InChIKey: OGMZQWPOZWMDQS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11)
(5)Std. InChIKey: OGMZQWPOZWMDQS-UHFFFAOYSA-N

Product Name

Ethanone, 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- (9CI)

3-Acetyl-7(1H)-azaindole Specification

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