Name: 1H-Pyrrolo[2,3-b]pyridine-2,3-dione
SKU: 5654-95-5

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Basic Information

Molecular Structure:
CAS No.:	5654-95-5
Name:	1H-Pyrrolo[2,3-b]pyridine-2,3-dione
Article Data:	14

Formula:	C₇H₄N₂O₂
Molecular Weight:	148.1189
Synonyms:	7-Pyrisatin;1H-azolidino[5,4-b]pyridine-2,3-dione;
Density:	1.469 g/cm³
Melting Point:	225-230 °C (decomp)
Boiling Point:	317.4±25.0 °C(Predicted)
PSA:	59.06000
LogP:	0.35440

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Specification

The CAS register number of 1H-Pyrrolo[2,3-b]pyridine-2,3-dione is 5654-95-5. It also can be called as 1H-azolidino[5,4-b]pyridine-2,3-dione and the systematic name about this chemical is 1H-pyrrolo[2,3-b]pyridine-2,3-dione. The molecular formula about this chemical is C₇H₄N₂O₂ and the molecular weight is 148.1189.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine-2,3-dione are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 7.38; (4)ACD/KOC (pH 7.4): 5.81; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)Polar Surface Area: 59.06Å²; (8)Index of Refraction: 1.622; (9)Molar Refractivity: 35.51 cm³; (10)Molar Volume: 100.7 cm³; (11)Polarizability: 14.07x10^-24cm³; (12)Surface Tension: 65.4 dyne/cm; (13)Density: 1.469 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2cccnc2NC1=O
(2)InChI: InChI=1/C7H4N2O2/c10-5-4-2-1-3-8-6(4)9-7(5)11/h1-3H,(H,8,9,10,11)
(3)InChIKey: WIZIBEDAPVILNL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H4N2O2/c10-5-4-2-1-3-8-6(4)9-7(5)11/h1-3H,(H,8,9,10,11)
(5)Std. InChIKey: WIZIBEDAPVILNL-UHFFFAOYSA-N