5-(Hydroxymethyl)-2-(trifluoromethyl)pyrimidine - CAS 608515-90-8
Catalog: |
BB030839 |
Product Name: |
5-(Hydroxymethyl)-2-(trifluoromethyl)pyrimidine |
CAS: |
608515-90-8 |
Synonyms: |
[2-(trifluoromethyl)-5-pyrimidinyl]methanol; [2-(trifluoromethyl)pyrimidin-5-yl]methanol |
IUPAC Name: | [2-(trifluoromethyl)pyrimidin-5-yl]methanol |
Description: | 5-(Hydroxymethyl)-2-(trifluoromethyl)pyrimidine (CAS# 608515-90-8) is a useful research chemical. |
Molecular Weight: | 178.11 |
Molecular Formula: | C6H5F3N2O |
Canonical SMILES: | C1=C(C=NC(=N1)C(F)(F)F)CO |
InChI: | InChI=1S/C6H5F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-2,12H,3H2 |
InChI Key: | OXTLPDJYINUPDW-UHFFFAOYSA-N |
LogP: | 1.28200 |
Publication Number | Title | Priority Date |
EP-3578562-A1 | L-valinate amide benzoxaborole derivatives for the treatment of parasitic diseases | 20160512 |
US-10562921-B2 | Oxaborole esters and uses thereof | 20160512 |
US-2017327519-A1 | Oxaborole esters and uses thereof | 20160512 |
WO-2017195069-A1 | Oxaborole esters and uses thereof | 20160512 |
US-10882872-B2 | Oxaborole esters and uses thereof | 20160512 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03539727 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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