2-(Trifluoromethyl)pyridine-5-boronic Acid - CAS 868662-36-6
Catalog: |
BB038100 |
Product Name: |
2-(Trifluoromethyl)pyridine-5-boronic Acid |
CAS: |
868662-36-6 |
Synonyms: |
[6-(trifluoromethyl)-3-pyridinyl]boronic acid; [6-(trifluoromethyl)pyridin-3-yl]boronic acid |
IUPAC Name: | [6-(trifluoromethyl)pyridin-3-yl]boronic acid |
Description: | 2-(Trifluoromethyl)pyridine-5-boronic Acid (CAS# 868662-36-6) is used for preparation of [[(aryl)heteroaryl]methoxy]nitroimidazooxazines and study of their antituberculosis structure-activity relationship. |
Molecular Weight: | 190.92 |
Molecular Formula: | C6H5F3NO2B |
Canonical SMILES: | B(C1=CN=C(C=C1)C(F)(F)F)(O)O |
InChI: | InChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H |
InChI Key: | BNTIPMNMTIAWIW-UHFFFAOYSA-N |
Boiling Point: | 374.4 °C at 760 mmHg |
Density: | 1.646 g/cm3 |
Appearance: | Solid |
MDL: | MFCD07375381 |
LogP: | -0.21980 |
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 |
WO-2021210970-A1 | Pyridopyrimidinone derivatives and their use as aryl hydrocarbon receptor modulators | 20200417 |
WO-2021202977-A1 | Pyrrolopyrimidine amines as complement inhibitors | 20200403 |
WO-2021130732-A1 | Antibacterial quinolines | 20191227 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2021102288-A1 | Pyridopyrimidinone derivatives as ahr antagonists | 20191122 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.0365431 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.0365431 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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