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820231-75-2 | Pyridine, 3-ethynyl-5-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]- (9CI)
CAS No: 820231-75-2 Catalog No: AG00GLQ1 MDL No:
Product Description
Catalog Number:
AG00GLQ1
Chemical Name:
Pyridine, 3-ethynyl-5-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]- (9CI)
CAS Number:
820231-75-2
IUPAC Name:
3-ethynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
InChI:
InChI=1S/C13H16N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h1,7-9,12H,4-6,10H2,2H3/t12-/m0/s1
InChI Key:
ZDTSCWZPUHXKPB-LBPRGKRZSA-N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Novel pyridyl ring C5 substituted analogues of epibatidine and 3-(1-methyl-2(S)-pyrrolidinylmethoxy)pyridine (A-84543) as highly selective agents for neuronal nicotinic acetylcholine receptors containing beta2 subunits. | Journal of medicinal chemistry 20050324 |
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