Structure Info
- Chemspace ID
- CSSS00010136508 (In-Stock Screening Compounds)
- CAS
- 1211579-71-3
- MFCD
- MFCD18258227
- IUPAC Name
- methyl 4-bromo-6-(trifluoromethyl)pyridine-2-carboxylate
- Mol formula
- C8H5BrF3NO2
- Mol weight
- 284 Da
- Catalog Number(s)
- 12-2226, 15407, A029011276, A633817, AG218610, ArZ-UP353024, BB4LS-EN300-3376090, BBV-45148144, BD471117, BI41119, CS-0608857, CS-45296, CSC010136508, EN300-3376090, FCH1721371, G79716, IMED1509703168, K10652-M, LYB57971, P23913, Y3123718, Z1509621931, ZXC337391
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.98
- Heavy atoms count
- 15
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 39
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00010136508
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