1-[6-Bromo-3-pyridyl]-2,2,2-trifluoroethanol - CAS 1188477-81-7
Catalog: |
BB004315 |
Product Name: |
1-[6-Bromo-3-pyridyl]-2,2,2-trifluoroethanol |
CAS: |
1188477-81-7 |
Synonyms: |
1-(6-bromo-3-pyridinyl)-2,2,2-trifluoroethanol; 1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanol |
IUPAC Name: | 1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanol |
Description: | 1-[6-Bromo-3-pyridyl]-2,2,2-trifluoroethanol (CAS# 1188477-81-7 ) is a useful research chemical. |
Molecular Weight: | 256.02 |
Molecular Formula: | C7H5BrF3NO |
Canonical SMILES: | C1=CC(=NC=C1C(C(F)(F)F)O)Br |
InChI: | InChI=1S/C7H5BrF3NO/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3,6,13H |
InChI Key: | SCJWPNCLZBUMRD-UHFFFAOYSA-N |
LogP: | 2.43980 |
Publication Number | Title | Priority Date |
WO-2020240586-A1 | Novel compounds for inhibition of janus kinase 1 | 20190528 |
CN-110494431-A | Nitrogen heterocycles derivative, preparation method and its medical usage | 20170930 |
WO-2019062657-A1 | HETEROCYLIC NITROGEN DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL USE THEREOF | 20170930 |
CN-111269221-A | Bicyclic lactams and methods of use thereof | 20150702 |
EP-3317269-A1 | Bicyclic lactams and methods of use thereof | 20150702 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.95066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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