5-(Trifluoromethyl)pyridine-2-carboxylic acid - CAS 80194-69-0
Catalog: |
BB036473 |
Product Name: |
5-(Trifluoromethyl)pyridine-2-carboxylic acid |
CAS: |
80194-69-0 |
Synonyms: |
5-(trifluoromethyl)pyridine-2-carboxylic acid |
IUPAC Name: | 5-(trifluoromethyl)pyridine-2-carboxylic acid |
Description: | 5-(Trifluoromethyl)pyridine-2-carboxylic acid (CAS# 80194-69-0) is an intermediate used in the synthesis of β-secretase (BACE) inhibitors. |
Molecular Weight: | 191.11 |
Molecular Formula: | C7H4F3NO2 |
Canonical SMILES: | C1=CC(=NC=C1C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C7H4F3NO2/c8-7(9,10)4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13) |
InChI Key: | NJHGVAYLDHROPT-UHFFFAOYSA-N |
Boiling Point: | 273.738 °C at 760 mmHg |
Density: | 1.485 g/cm3 |
MDL: | MFCD04113632 |
LogP: | 1.79860 |
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 |
CN-111162313-A | Polymer electrolyte and lithium ion battery | 20191223 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
CN-112654605-A | Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof | 20190809 |
WO-2021027647-A1 | Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof | 20190809 |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
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: | 1.6 |
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Pyridines
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