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3-Ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]pyridine

3-Ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]pyridine structure

CAS No:
179120-92-4
Formula:
C12H14N2
Chemical Name:
3-Ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]pyridine
Synonyms:
Pyridine,3-ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]-;Pyridine,3-ethynyl-5-(1-methyl-2-pyrrolidinyl)-,(S)-;3-Ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]pyridine;Altinicline;5-Ethynylnicotine;SIB 1508;3-Ethynyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;1168150-25-1

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3-Ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]pyridine Basic Attributes

Molecular Weight：

186.25

Exact Mass：

186.25

UNII：

RJ9V9V09VM

Characteristics

Density：

1.09±0.1 g/cm3

Boiling Point：

287.7±40.0 °C(Predicted)

PKA：

7.83±0.70

Drug Information

MeSH Entry Terms：

5-ethynyl-3-(1-methyl-2-pyrrolidinyl)pyridine maleate

3-Ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]pyridine Use and Manufacturing

5-Ethynylnicotine is an intermediate of nicotinic acetylcholine receptor agonist SIB-1508Y. 5-Ethynylnicotine is used for the treatment of neurological disorders.

Computed Properties

Molecular Weight:186.25
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:186.115698455
Monoisotopic Mass:186.115698455
Topological Polar Surface Area:16.1
Heavy Atom Count:14
Complexity:240
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]pyridine

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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