1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one supplier

Name
1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one
EINECS 1308068-626-2
CAS No. 473927-69-4
Article Data11
CAS DataBase
Density 1.644 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₇IN₂O₂
Boiling Point 483.485 °C at 760 mmHg
Molecular Weight 384.217
Flash Point 246.203 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5,6-Dihydro-1-(4-iodophenyl)-3-(4-morpholinyl)-2(1H)-pyridinone;
PSA 32.78000
LogP 2.24690

1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one 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

Product Name

1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one

1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one Specification

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