2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid - CAS 1040681-74-0
Catalog: |
BB001317 |
Product Name: |
2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid |
CAS: |
1040681-74-0 |
Synonyms: |
2-fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 2-fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid (CAS# 1040681-74-0) is a useful research chemical. |
Molecular Weight: | 209.10 |
Molecular Formula: | C7H3F4NO2 |
Canonical SMILES: | C1=CN=C(C(=C1C(F)(F)F)C(=O)O)F |
InChI: | InChI=1S/C7H3F4NO2/c8-5-4(6(13)14)3(1-2-12-5)7(9,10)11/h1-2H,(H,13,14) |
InChI Key: | ABXMDMDQUVWALB-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD10687403 |
LogP: | 1.93770 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2970124-B1 | Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof | 20130314 |
US-10227304-B2 | Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof | 20130314 |
US-2016107996-A1 | Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof | 20130314 |
US-2017320828-A1 | Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof | 20130314 |
US-9670162-B2 | Mitochondrial aldehyde dehyrogenase-2 modulators and methods of use thereof | 20130314 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.00999099 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.00999099 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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