2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI) supplier

Name
2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI)
EINECS 200-258-5
CAS No. 134682-54-5
Article Data3
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point
Formula C₇H₆N₂O
Boiling Point 362.5 °C at 760 mmHg
Molecular Weight 134.137
Flash Point 173 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrrolo[3,2-c]pyridin-2(3H)-one;
PSA 41.99000
LogP 0.71420

2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI) Specification

The 2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI), with the CAS registry number of 134682-54-5, is also known as 1H-Pyrrolo[3,2-c]pyridin-2(3H)-one. It belongs to the product category of Pyridine. Its molecular formula is C₇H₆N₂O and molecular weight is 134.1353. What's more, its IUPAC name is 1,3-Dihydropyrrolo[3,2-c]pyridin-2-one.

Physical properties about the 2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI) are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.83; (7)ACD/KOC (pH 5.5): 21.49; (8)ACD/KOC (pH 7.4): 53.26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.99 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 35.38 cm³; (15)Molar Volume: 104.2 cm³; (16)Surface Tension: 53 dyne/cm; (17)Density: 1.286 g/cm³; (18)Flash Point: 173 °C; (19)Enthalpy of Vaporization: 60.84 kJ/mol; (20)Boiling Point: 362.5 °C at 760 mmHg; (21)Vapour Pressure: 1.93E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by 3,3,7-Tribromo-1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one. The reaction needs reagent H₂ and solvent Ethanol. The reaction time is 3 h. The yield is about 69 %.

The 2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI) can be obtained by 3,3,7-Tribromo-1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1Cc2cnccc2N1
(2) InChI: InChI=1/C7H6N2O/c10-7-3-5-4-8-2-1-6(5)9-7/h1-2,4H,3H2,(H,9,10)
(3) InChIKey: YAUVSURSWJMKFT-UHFFFAOYAG

Product Name

2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI)

2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI) Specification

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