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| CAS No.: | 473927-69-4 |
|---|---|
| Name: | 1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C15H17IN2O2 |
| Molecular Weight: | 384.217 |
| Synonyms: | 5,6-Dihydro-1-(4-iodophenyl)-3-(4-morpholinyl)-2(1H)-pyridinone; |
| EINECS: | 1308068-626-2 |
| Density: | 1.644 g/cm3 |
| Boiling Point: | 483.485 °C at 760 mmHg |
| Flash Point: | 246.203 °C |
| PSA: | 32.78000 |
| LogP: | 2.24690 |
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Specification
The systematic name of 1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one is 1-(4-iodophenyl)-3-(morpholin-4-yl)-5,6-dihydropyridin-2(1H)-one. With the CAS registry number 473927-69-4, it is also named as 5,6-Dihydro-1-(4-iodophenyl)-3-(4-morpholinyl)-2(1H)-pyridinone. In addition, its molecular formula is C15H17IN2O2 and molecular weight is 384.2121. This chemical is pharmaceutical intermediate.
The other characteristics of 1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one can be summarized as: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 105; (6)ACD/BCF (pH 7.4): 105; (7)ACD/KOC (pH 5.5): 972; (8)ACD/KOC (pH 7.4): 973; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 85.369 cm3; (15)Molar Volume: 233.768 cm3; (16)Polarizability: 33.843×10-24cm3; (17)Surface Tension: 56.625 dyne/cm; (18)Density: 1.644 g/cm3; (19)Flash Point: 246.203 °C; (20)Enthalpy of Vaporization: 74.859 kJ/mol; (21)Boiling Point: 483.485 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Ic1ccc(cc1)N2CC\C=C(/C2=O)N3CCOCC3
(2)InChI:InChI=1/C15H17IN2O2/c16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17/h2-6H,1,7-11H2
(3)InChIKey:UWWMPOYYIGCWEH-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C15H17IN2O2/c16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17/h2-6H,1,7-11H2
(5)Std. InChIKey:UWWMPOYYIGCWEH-UHFFFAOYSA-N