Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Benzyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
EINECS | N/A |
CAS No. | 18184-75-3 | Density | 1.368 g/cm3 |
PSA | 50.27000 | LogP | 1.81570 |
Solubility | N/A | Melting Point |
154-156°C |
Formula | C14H10N2O2 | Boiling Point | 418.943 °C at 760 mmHg |
Molecular Weight | 238.246 | Flash Point | 207.17 °C |
Transport Information | N/A | Appearance | Off-white solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3-Pyridinedicarboximide,N-benzyl- (6CI,8CI);NSC151664; |
Article Data | 21 |
The IUPAC name of 6-Benzyl-5H-pyrrolo[3,4-beta]pyridine-5,7(6H)-dione is 6-benzylpyrrolo[3,4-b]pyridine-5,7-dione. With the CAS registry number 18184-75-3, it is also named as N-Benzyl-2,3-pyridinedicarboximide. The product's categories are Aromatics; Heterocycles. In addition, its molecular formula is C14H10N2O2 and its molecular weight is 238.24. It is off-white solid.
The other characteristics of 6-Benzyl-5H-pyrrolo[3,4-beta]pyridine-5,7(6H)-dione can be summarized as: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 50.27 Å2; (7)Index of Refraction: 1.668; (8)Molar Refractivity: 64.9 cm3; (9)Molar Volume: 174.1 cm3; (10)Polarizability: 25.72×10-24cm3; (11)Surface Tension: 67.2 dyne/cm; (12)Density: 1.368 g/cm3; (13)Flash Point: 207.2 °C; (14)Enthalpy of Vaporization: 67.26 kJ/mol; (15)Boiling Point: 418.9 °C at 760 mmHg; (16)Vapour Pressure: 3.16E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C2c1cccnc1C(=O)N2Cc3ccccc3
(2)InChI: InChI=1/C14H10N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2
(3)InChIKey: DWUBVULEMQOCPO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H10N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2
(5)Std. InChIKey: DWUBVULEMQOCPO-UHFFFAOYSA-N