4-(Trifluoromethyl)pyridine-3-carboxylic acid - CAS 158063-66-2
Catalog: |
BB011390 |
Product Name: |
4-(Trifluoromethyl)pyridine-3-carboxylic acid |
CAS: |
158063-66-2 |
Synonyms: |
4-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 4-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 4-(Trifluoromethyl)pyridine-3-carboxylic acid (CAS# 158063-66-2) is a useful synthetic intermediate. It can be used to prepare pyridine carboxamides as palm site inhibitors of HCV NS5B polymerase. It can also be used to synthesize pyrazolylcarboxanilides as Ca2+ release-activated Ca2+ (CRAC) channel inhibitors. |
Molecular Weight: | 191.11 |
Molecular Formula: | C7H4F3NO2 |
Canonical SMILES: | C1=CN=CC(=C1C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13) |
InChI Key: | LMRJHNFECNKDKH-UHFFFAOYSA-N |
Boiling Point: | 290.4 °C at 760 mmHg |
Density: | 1.484 g/cm3 |
MDL: | MFCD00082626 |
LogP: | 1.79860 |
GHS Hazard Statement: | H315 (99.28%): 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 |
CN-113480477-A | Preparation process of 4-trifluoromethyl nicotinic acid | 20210708 |
CN-113501783-A | Erianin heterocyclic derivative and preparation method and application thereof | 20210630 |
CN-113336698-A | Method for recovering mother liquor in 4-trifluoromethyl nicotinic acid | 20210529 |
CN-113509482-A | Application of DNA tetrahedron in preparation of medicine for preventing and treating Sjogren syndrome | 20210430 |
CN-113149899-A | Method for preparing 4-trifluoromethyl nicotinic acid | 20210425 |
PMID | Publication Date | Title | Journal |
23016287 | 20120601 | [Simultaneous determination of flonicamid and its metabolites in cucumbers and apples by liquid chromatography-tandem mass spectrometry] | Se pu = Chinese journal of chromatography |
21831390 | 20110923 | Simultaneous determination of flonicamid and its metabolites in vegetables using QuEChERS and reverse-phase liquid chromatography-tandem mass spectrometry | Journal of chromatography. A |
21632058 | 20110715 | Development of a new QuEChERS method based on dry ice for the determination of 168 pesticides in paprika using tandem mass spectrometry | Journal of chromatography. A |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.01941286 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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