3-(Trifluoromethyl)pyridine-4-boronic Acid - CAS 1204334-17-7
Catalog: |
BB004869 |
Product Name: |
3-(Trifluoromethyl)pyridine-4-boronic Acid |
CAS: |
1204334-17-7 |
Synonyms: |
[3-(trifluoromethyl)-4-pyridinyl]boronic acid; [3-(trifluoromethyl)pyridin-4-yl]boronic acid |
IUPAC Name: | [3-(trifluoromethyl)pyridin-4-yl]boronic acid |
Description: | 3-(Trifluoromethyl)pyridine-4-boronic Acid (CAS# 1204334-17-7) is a useful research chemical. |
Molecular Weight: | 190.92 |
Molecular Formula: | C6H5F3NO2B |
Canonical SMILES: | B(C1=C(C=NC=C1)C(F)(F)F)(O)O |
InChI: | InChI=1S/C6H5BF3NO2/c8-6(9,10)4-3-11-2-1-5(4)7(12)13/h1-3,12-13H |
InChI Key: | NKKURWXTOIKLEF-UHFFFAOYSA-N |
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-2020086857-A1 | Wdr5 inhibitors and modulators | 20181024 |
EP-3870173-A1 | Wdr5 inhibitors and modulators | 20181024 |
WO-2019244049-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
AU-2019291490-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
CN-112313217-A | Cyanotriazole compounds and use thereof | 20180619 |
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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