3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]pyridine - CAS 677347-79-4
Catalog: |
BB033383 |
Product Name: |
3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]pyridine |
CAS: |
677347-79-4 |
Synonyms: |
2-(chloromethyl)-5-pyridin-3-yl-1,3,4-oxadiazole |
IUPAC Name: | 2-(chloromethyl)-5-pyridin-3-yl-1,3,4-oxadiazole |
Description: | 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]pyridine (CAS# 677347-79-4) is a useful research chemical. |
Molecular Weight: | 195.61 |
Molecular Formula: | C8H6ClN3O |
Canonical SMILES: | C1=CC(=CN=C1)C2=NN=C(O2)CCl |
InChI: | InChI=1S/C8H6ClN3O/c9-4-7-11-12-8(13-7)6-2-1-3-10-5-6/h1-3,5H,4H2 |
InChI Key: | HQTGPLTVMBODQM-UHFFFAOYSA-N |
Boiling Point: | 350.293 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.35 g/cm3 |
LogP: | 1.87040 |
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 |
CA-2886125-A1 | Bet protein-inhibiting 5-aryl triazole azepines | 20120928 |
EP-2900672-A1 | Bet protein-inhibiting 5-aryl triazole azepines | 20120928 |
EP-2900672-B1 | Bet-protein inhibitory 5-aryl-triazolo-azepines | 20120928 |
JP-2015531362-A | BET protein inhibitory 5-aryltriazoloazepines | 20120928 |
JP-6276277-B2 | BET protein inhibitory 5-aryltriazoloazepines | 20120928 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0199395 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0199395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyridines
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