5-Bromo-2-ethynylpyrimidine - CAS 1135283-08-7
Catalog: |
BB003195 |
Product Name: |
5-Bromo-2-ethynylpyrimidine |
CAS: |
1135283-08-7 |
Synonyms: |
5-bromo-2-ethynylpyrimidine; 5-bromo-2-ethynylpyrimidine |
IUPAC Name: | 5-bromo-2-ethynylpyrimidine |
Description: | 5-Bromo-2-ethynylpyrimidine (CAS# 1135283-08-7) is a compound useful in organic synthesis. |
Molecular Weight: | 183.01 |
Molecular Formula: | C6H3BrN2 |
Canonical SMILES: | C#CC1=NC=C(C=N1)Br |
InChI: | InChI=1S/C6H3BrN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H |
InChI Key: | ZHOLVGVOMDUCDY-UHFFFAOYSA-N |
LogP: | 1.22040 |
Publication Number | Title | Priority Date |
ES-2564884-T3 | Ethinyl derivatives as allosteric modulators of mGluR5 | 20111007 |
EP-2114900-B1 | Thiopyrimidine-based compounds and uses thereof | 20070131 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.94796 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.94796 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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