Cas no 1261904-87-3 (4-(2,4,6-Trifluorophenyl)pyridine-3-carboxylic acid)
1261904-87-3 structure
Product Name:4-(2,4,6-Trifluorophenyl)pyridine-3-carboxylic acid
CAS No:1261904-87-3
MF:C12H6F3NO2
MW:253.176753520966
CID:2762506
PubChem ID:53229422
Update Time:2025-04-21
4-(2,4,6-Trifluorophenyl)pyridine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID90692610
- 1261904-87-3
- 4-(2,4,6-Trifluorophenyl)nicotinic acid, 95%
- MFCD18323578
- 4-(2,4,6-TRIFLUOROPHENYL)NICOTINIC ACID
- UHA15918
- 4-(2,4,6-Trifluorophenyl)pyridine-3-carboxylic acid
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- Inchi： 1S/C12H6F3NO2/c13-6-3-9(14)11(10(15)4-6)7-1-2-16-5-8(7)12(17)18/h1-5H,(H,17,18)
- InChI Key： KWAJXZBZDYDLMH-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1C1C=CN=CC=1C(=O)O)F)F
Computed Properties
- Exact Mass: 253.03506292Da
- Monoisotopic Mass: 253.03506292Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 304
- 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
- XLogP3: 2.3
- Topological Polar Surface Area: 50.2?2
4-(2,4,6-Trifluorophenyl)pyridine-3-carboxylic acid Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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