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