Cas no 23586-90-5 (3-Pyridinecarboxylicacid, 5-fluoro-, 1-methyl-1,2-ethanediyl ester (9CI))
23586-90-5 structure
Product Name:3-Pyridinecarboxylicacid, 5-fluoro-, 1-methyl-1,2-ethanediyl ester (9CI)
CAS No:23586-90-5
MF:C15H12F2N2O4
MW:322.263590812683
CID:258502
PubChem ID:211816
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 5-fluoro-, 1-methyl-1,2-ethanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarboxylicacid, 5-fluoro-, 1-methyl-1,2-ethanediyl ester (9CI)
- 2-(5-fluoropyridine-3-carbonyl)oxypropyl 5-fluoropyridine-3-carboxylate
- 3-Pyridinecarboxylic acid, 5-fluoro-, 1-methyl-1,2-ethanediyl ester
- DTXSID10946389
- propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate)
- BRN 0494715
- 1-Methyl-1,2-ethanediyl 5-fluoro-3-pyridinecarboxylate
- 23586-90-5
- 1,2-Propanediol, bis(5-fluoronicotinate)
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- Inchi： 1S/C15H12F2N2O4/c1-9(23-15(21)11-3-13(17)7-19-5-11)8-22-14(20)10-2-12(16)6-18-4-10/h2-7,9H,8H2,1H3
- InChI Key： ZBIBQGWYPMWCPN-UHFFFAOYSA-N
- SMILES： FC1=CN=CC(=C1)C(=O)OC(C)COC(C1C=NC=C(C=1)F)=O
Computed Properties
- Exact Mass: 322.07656
- Monoisotopic Mass: 322.077
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 424
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- Density: 1.354
- Boiling Point: 429.3°C at 760 mmHg
- Flash Point: 213.4°C
- Refractive Index: 1.541
- PSA: 78.38
3-Pyridinecarboxylicacid, 5-fluoro-, 1-methyl-1,2-ethanediyl ester (9CI) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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