Cas no 780701-97-5 (3-Pyridine-5,6-13c2-carboxylic acid, 5-fluoro- (9ci))
780701-97-5 structure
Product Name:3-Pyridine-5,6-13c2-carboxylic acid, 5-fluoro- (9ci)
CAS No:780701-97-5
MF:C6H4FNO2
MW:143.085174560547
CID:2196390
PubChem ID:53482101
Update Time:2025-04-21
3-Pyridine-5,6-13c2-carboxylic acid, 5-fluoro- (9ci) Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridine-5,6-13c2-carboxylic acid, 5-fluoro- (9ci)
- 5-fluoropyridine-3-carboxylic acid
- 3-Pyridine-5,6-13C2-carboxylic acid, 5-fluoro-
- starbld0016842
- 780701-97-5
- DTXSID90703876
- 5-Fluoro(5,6-~13~C_2_)pyridine-3-carboxylic acid
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- Inchi： 1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)/i3+1,5+1
- InChI Key： BXZSBDDOYIWMGC-ZIEKVONGSA-N
- SMILES： F[13C]1=[13CH]N=CC(C(=O)O)=C1
Computed Properties
- Exact Mass: 143.02931620Da
- Monoisotopic Mass: 143.02931620Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 0.5
- Topological Polar Surface Area: 50.2?2
3-Pyridine-5,6-13c2-carboxylic acid, 5-fluoro- (9ci) Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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