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| CAS No.: | 504433-23-2 |
|---|---|
| Name: | GW441756 |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C17H13N3O |
| Molecular Weight: | 275.31 |
| Synonyms: | 1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyr |
| Density: | 1.318 g/cm3 |
| Boiling Point: | 567.985 °C at 760 mmHg |
| Flash Point: | 297.307 °C |
| PSA: | 46.92000 |
| LogP: | 3.20400 |
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Specification
The 1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one, with the cas registry number of 504433-23-2, is also known as (Z)-3-((1-methyl-1H-indol-3-yl)methylene)-1H-pyrrolo[3,2-b]pyridin-2(3H)-one and 2H-Pyrrolo[3,2-b]pyridin-2-one, 1,3-dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-, (3Z)-. Its molecular formula is C17H13N3O and formula weight is 275.30462. What's more, its systematic name is called (3Z)-3-[(1-Methyl-1H-indol-3-yl)methylidene]-1,3-dihydro-2H-pyrrolo[3,2-b]pyridin-2-one.
Physical properties about this chemical are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.92 Å2; (7)Index of Refraction: 1.708; (8)Molar Refractivity: 81.426 cm3; (9)Molar Volume: 208.846 cm3; (10)Surface Tension: 52.937 dyne/cm; (11)Density: 1.318 g/cm3; (12)Flash Point: 297.307 °C; (13)Enthalpy of Vaporization: 85.25 kJ/mol; (14)Boiling Point: 567.985 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1cccnc1/C2=C/c4c3ccccc3n(c4)C;
(2)InChI: InChI=1/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)/b13-9-;
(3)InChIKey: NXNQLECPAXXYTR-LCYFTJDEBW;
(4)Std. InChI: InChI=1S/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)/b13-9-;
(5)Std. InChIKey: NXNQLECPAXXYTR-LCYFTJDESA-N.