2-Chloro-5-ethynylpyridine - CAS 263012-63-1
Catalog: |
BB070111 |
Product Name: |
2-Chloro-5-ethynylpyridine |
CAS: |
263012-63-1 |
Synonyms: |
2-Chloro-5-ethynylpyridine; 2-chloro-5-ethynyl-pyridine; PYRIDINE, 2-CHLORO-5-ETHYNYL-; Pyridine, 2-chloro-5-ethynyl- (9CI); 2-chloro-5-ethynyl pyridine |
IUPAC Name: | 2-chloro-5-ethynylpyridine |
Description: | 2-Chloro-5-ethynylpyridine was used in the synthesis of conjugatively bridged bis- and tris-5-(2,2'-bipyridines) multitopic metal Ion-binding modules for supramolecular nanoengineering. |
Molecular Weight: | 137.57 |
Molecular Formula: | C7H4ClN |
Canonical SMILES: | C#CC1=CN=C(C=C1)Cl |
InChI: | InChI=1S/C7H4ClN/c1-2-6-3-4-7(8)9-5-6/h1,3-5H |
InChI Key: | PGLDMOFVMPWSEN-UHFFFAOYSA-N |
References: | Baxter, P.N.W., et al. J. Org. Chem., 65, 1257 (2000); Baxter, P.N.W., et al. J. Org. Chem., 66, 4170 (2001). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.0032268 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.0032268 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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