3-(Pyrrolidin-2-yl)pyridine

C9H12N2 — CID 412

IUPAC3-pyrrolidin-2-ylpyridine
SMILESC1CC(NC1)C2=CN=CC=C2
InChIInChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
InChIKeyMYKUKUCHPMASKF-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.20
Rot. Bonds1

About 3-(Pyrrolidin-2-yl)pyridine

3-(Pyrrolidin-2-yl)pyridine (PubChem CID 412) has the molecular formula C9H12N2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-pyrrolidin-2-ylpyridine.

Molecular Properties

Compound Name3-(Pyrrolidin-2-yl)pyridine
PubChem CID412
Molecular FormulaC9H12N2
Molecular Weight148.20 g/mol
Exact Mass148.10
IUPAC Name3-pyrrolidin-2-ylpyridine
SMILESC1CC(NC1)C2=CN=CC=C2
InChIInChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
InChIKeyMYKUKUCHPMASKF-UHFFFAOYSA-N
XLogP0.20
TPSA24.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity125

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Anabasine
CID 205586
Nornicotine
CID 91462
Epibatidine
CID 854023
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Prothionamide
CID 666418
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
N-Nitrosonornicotine
CID 12613538
5-Ethyl-2-methylpyridine
CID 7728

Frequently Asked Questions

What is the IUPAC name of 3-(Pyrrolidin-2-yl)pyridine?
The IUPAC name of 3-(Pyrrolidin-2-yl)pyridine (CID 412) is 3-pyrrolidin-2-ylpyridine.
What is the SMILES notation for 3-(Pyrrolidin-2-yl)pyridine?
The canonical SMILES for 3-(Pyrrolidin-2-yl)pyridine is C1CC(NC1)C2=CN=CC=C2.
What is the InChIKey of 3-(Pyrrolidin-2-yl)pyridine?
The InChIKey is MYKUKUCHPMASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2.
What are the key properties of 3-(Pyrrolidin-2-yl)pyridine?
3-(Pyrrolidin-2-yl)pyridine has a molecular weight of 148.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Pyrrolidin-2-yl)pyridine is sourced from PubChem (CID 412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).