Cas no 1261920-55-1 (3-(2,6-Difluorophenyl)pyridine-4-carboxylic acid)
1261920-55-1 structure
Product Name:3-(2,6-Difluorophenyl)pyridine-4-carboxylic acid
CAS No:1261920-55-1
MF:C12H7F2NO2
MW:235.186290025711
CID:2763547
PubChem ID:53223064
Update Time:2025-04-21
3-(2,6-Difluorophenyl)pyridine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1261920-55-1
- MFCD18317223
- AKOS015157402
- 3-(2,6-Difluorophenyl)isonicotinic acid, 95%
- 3-(2,6-DIFLUOROPHENYL)ISONICOTINIC ACID
- DTXSID80687353
- 3-(2,6-Difluorophenyl)pyridine-4-carboxylic acid
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- Inchi： 1S/C12H7F2NO2/c13-9-2-1-3-10(14)11(9)8-6-15-5-4-7(8)12(16)17/h1-6H,(H,16,17)
- InChI Key： DSJBTJHFPNQBQG-UHFFFAOYSA-N
- SMILES： FC1C=CC=C(C=1C1C=NC=CC=1C(=O)O)F
Computed Properties
- Exact Mass: 235.04448479Da
- Monoisotopic Mass: 235.04448479Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 278
- 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: 2.2
- Topological Polar Surface Area: 50.2?2
3-(2,6-Difluorophenyl)pyridine-4-carboxylic acid Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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