Cas no 1256807-16-5 (5-Ethyl-3-fluoropyridine-2-carboxylic acid)
1256807-16-5 structure
Product Name:5-Ethyl-3-fluoropyridine-2-carboxylic acid
CAS No:1256807-16-5
MF:C8H8FNO2
MW:169.153025627136
CID:2618845
PubChem ID:67085405
Update Time:2025-04-21
5-Ethyl-3-fluoropyridine-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- DB-100322
- SCHEMBL1584089
- 1256807-16-5
- 5-Ethyl-3-fluoropyridine-2-carboxylic acid
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- Inchi： 1S/C8H8FNO2/c1-2-5-3-6(9)7(8(11)12)10-4-5/h3-4H,2H2,1H3,(H,11,12)
- InChI Key： LITUTDGZLPCOFG-UHFFFAOYSA-N
- SMILES： FC1=C(C(=O)O)N=CC(=C1)CC
Computed Properties
- Exact Mass: 169.054
- Monoisotopic Mass: 169.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 50.2A^2
- XLogP3: 1.6
5-Ethyl-3-fluoropyridine-2-carboxylic acid Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
1256807-16-5 (5-Ethyl-3-fluoropyridine-2-carboxylic acid) Related Products
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