CAS 2456-81-7|4-(pyrrolidin-1-yl)pyridine|4-(Pyrrolidin-1-yl)pyridine|1-(Pyridin-4-yl)pyrrolidine|4-(pyrrolidin-1-yl)pyridine|4-Pyrrolidinopyridine|4-Pyrrolidinopyridine|4-吡咯烷基吡啶|4-(1-Pyrrolid...

General Information

Structure

Molecular Formula

C₉H₁₂N₂

Molecular Mass

148.20498

Exact Mass

148.10004839

Charge

InChI

InChI=1S/C9H12N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3-6H,1-2,7-8H2

InChIKey

RGUKYNXWOWSRET-UHFFFAOYSA-N

Canonic Smiles

C1CCN(C1)c1ccncc1

Isomeric Smiles

c1cc(ccn1)N1CCCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.28636187

LogD (pH = 7.4)

0.42847383

Log P

1.2694147

Molar Refractivity

45.8707

Polarizability

17.205856

Polar Surface Area

16.13

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-(pyrrolidin-1-yl)pyridine

Synonyms

4-(Pyrrolidin-1-yl)pyridine1-(Pyridin-4-yl)pyrrolidine4-Pyrrolidinopyridine4-吡咯烷基吡啶4-Pyrrolidinopyridine4-(1-Pyrrolidinyl)pyridine1-(4-Pyridyl)pyrrolidine4-1-吡咯烷吡啶4-(1-Pyrrolidino)pyridine

IUPAC name

4-(pyrrolidin-1-yl)pyridine

Names and Identifiers

Registration numbers

MDL Number

MFCD00006415

CAS Number

2456-81-7

PubChem SID

1620351242485277824888111

PubChem CID

75567

Beilstein Number

472443

EC Number

219-534-2

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

213373

Packaging
1, 5, 25 g in glass bottle
Application
Catalyst employed in polymerization reactions.1,2 Ligand in metal complexes.3

83275

Other Notes
Hypernucleophilic acylation catalyst. Reviews1,2,3

Molecule Details

References

PubChem Literature

From Data Sources

• Powerful acylation catalyst: Synthesis, 619 (1972); Tetrahedron, 34, 2069 (1978).

• Compare 4-(Dimethylamino)pyridine, A13016. For reviews of acylation under hypernucleophilic catalysis, see: Angew. Chem. Int. Ed., 17, 569 (1978); Chem. Soc. Rev., 12, 129 (1983).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

4-(pyrrolidin-1-yl)pyridine

Synonyms

IUPAC name

4-(pyrrolidin-1-yl)pyridine

Registration numbers

MDL Number

MFCD00006415

CAS Number

2456-81-7

PubChem SID

1620351242485277824888111

PubChem CID

Beilstein Number

EC Number

Molecule Details

213373

Packaging
1, 5, 25 g in glass bottle
Application
Catalyst employed in polymerization reactions.1,2 Ligand in metal complexes.3

83275

Other Notes
Hypernucleophilic acylation catalyst. Reviews1,2,3

References

PubChem Literature

From Data Sources

• Powerful acylation catalyst: Synthesis, 619 (1972); Tetrahedron, 34, 2069 (1978).

• Compare 4-(Dimethylamino)pyridine, A13016. For reviews of acylation under hypernucleophilic catalysis, see: Angew. Chem. Int. Ed., 17, 569 (1978); Chem. Soc. Rev., 12, 129 (1983).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:69398