5-(5-Bromo-3-pyridyl)-1H-tetrazole - CAS 211943-13-4
Catalog: |
BB016680 |
Product Name: |
5-(5-Bromo-3-pyridyl)-1H-tetrazole |
CAS: |
211943-13-4 |
Synonyms: |
3-bromo-5-(2H-tetrazol-5-yl)pyridine |
IUPAC Name: | 3-bromo-5-(2H-tetrazol-5-yl)pyridine |
Description: | 5-(5-Bromo-3-pyridyl)-1H-tetrazole (CAS# 211943-13-4) is a useful research chemical. |
Molecular Weight: | 226.03 |
Molecular Formula: | C6H4BrN5 |
Canonical SMILES: | C1=C(C=NC=C1Br)C2=NNN=N2 |
InChI: | InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12) |
InChI Key: | XJGDASCALCDOQH-UHFFFAOYSA-N |
Boiling Point: | 415.9 °C at 760 mmHg |
Melting Point: | 240 °C (dec.)(lit.) |
Purity: | 95 % |
Density: | 1.85 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02093928 |
LogP: | 1.02420 |
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 |
US-10011593-B2 | Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors | 20141009 |
US-2016102081-A1 | Heterocycle-substituted Pyridyl Benzothiophenes as Kinase Inhibitors | 20141009 |
US-2017096419-A1 | Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors | 20141009 |
US-2017226094-A1 | Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors | 20141009 |
US-9359336-B2 | Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors | 20141009 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.96501 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.96501 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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