2-Bromo-5-(difluoromethyl)pyridine - CAS 1221272-81-6
Catalog: |
BB005340 |
Product Name: |
2-Bromo-5-(difluoromethyl)pyridine |
CAS: |
1221272-81-6 |
Synonyms: |
2-bromo-5-(difluoromethyl)pyridine |
IUPAC Name: | 2-bromo-5-(difluoromethyl)pyridine |
Description: | 2-Bromo-5-(difluoromethyl)pyridine (CAS# 1221272-81-6) is a reactant involved in the chemokine receptor CCR5 N-substituted pyrazoles preparation and SAR as anti-viral agents. |
Molecular Weight: | 208.00 |
Molecular Formula: | C6H4BrF2N |
Canonical SMILES: | C1=CC(=NC=C1C(F)F)Br |
InChI: | InChI=1S/C6H4BrF2N/c7-5-2-1-4(3-10-5)6(8)9/h1-3,6H |
InChI Key: | QUHDJDVFZSVUOH-UHFFFAOYSA-N |
Appearance: | Liquid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD16140195 |
LogP: | 2.78170 |
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 |
TW-201925188-A | Enzyme inhibitors | 20171129 |
WO-2019106359-A1 | Enzyme inhibitors | 20171129 |
AU-2018360850-A1 | Modulators of the integrated stress pathway | 20171102 |
CA-3080959-A1 | Modulators of the integrated stress pathway | 20171102 |
WO-2019090081-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.94952 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.94952 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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