Cas no 144511-12-6 (3-(2,5-Difluorobenzoyl)isonicotinic acid)
144511-12-6 structure
Product Name:3-(2,5-Difluorobenzoyl)isonicotinic acid
CAS No:144511-12-6
MF:C13H7F2NO3
MW:263.196390390396
CID:2855702
PubChem ID:10015612
Update Time:2025-04-21
3-(2,5-Difluorobenzoyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(2',5'-difluorobenzoyl)isonicotinic acid
- 3-(2,5-Difluorobenzoyl)isonicotinic acid
- AC-30434
- 144511-12-6
- UOGPJPJWWFYDDS-UHFFFAOYSA-N
- 3-(2',5'-difluorobenzoyl) isonicotinic acid
- 3-(2,5-difluorobenzoyl)pyridine-4-carboxylic Acid
- SCHEMBL7766931
- PSQ03
-
- Inchi： 1S/C13H7F2NO3/c14-7-1-2-11(15)9(5-7)12(17)10-6-16-4-3-8(10)13(18)19/h1-6H,(H,18,19)
- InChI Key： UOGPJPJWWFYDDS-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1C(C1C=NC=CC=1C(=O)O)=O)F
Computed Properties
- Exact Mass: 263.03939941Da
- Monoisotopic Mass: 263.03939941Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 364
- 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: 1.9
- Topological Polar Surface Area: 67.3?2
Experimental Properties
- Density: 1.448±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.97 g/l) (25 o C),
3-(2,5-Difluorobenzoyl)isonicotinic acid Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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