3-[(2S)-pyrrolidin-2-yl]pyridine

Details

• Internal ID: 2bb5f423-9798-445b-b526-7e99dc758677
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Pyrrolidinylpyridines
• IUPAC Name: 3-[(2S)-pyrrolidin-2-yl]pyridine
• SMILES (Canonical): C1CC(NC1)C2=CN=CC=C2
• SMILES (Isomeric): C1C[C@H](NC1)C2=CN=CC=C2
• InChI: 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/t9-/m0/s1
• InChI Key: MYKUKUCHPMASKF-VIFPVBQESA-N
• Popularity: 274 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₂N₂
• Molecular Weight: 148.20 g/mol
• Exact Mass: 148.100048391 g/mol
• Topological Polar Surface Area (TPSA): 24.90 Ų
• XlogP: 0.20

Synonyms

• (S)-3-(Pyrrolidin-2-yl)pyridine
• l-Nor-nicotine
• 3-[(2S)-pyrrolidin-2-yl]pyridine
• (S)-Nornicotine
• Nornicotin
• 1'-Demethyl nicotine
• S-(-)-Nornicotine
• Pyridine, 3-(2S)-2-pyrrolidinyl-
• Nicotine, 1'-demethyl-, (S)-
• 2-(3-Pyridyl)pyrrolidine
• (S)-1'-demethylnicotine
• CHEMBL6200
• 83H6L5QD8Z
• CHEBI:28313
• (-)-nornicotine
• Pyridine, 3-(2-pyrrolidinyl)-, (S)-
• (S)-3-Pyrrolidin-2-yl-pyridine
• 1'-demethylnicotine
• 3-((2S)-PYRROLIDIN-2-YL)PYRIDINE
• (S)-2-(3-Pyridyl)pyrrolidine
• BRN 0081968
• Pyridine, 3-(2-pyrrolidinyl)-,(S)-
• UNII-83H6L5QD8Z
• 3-(2-pyrrolidinyl)-(s)-pyridine
• HSDB 8034
• 1''-demethyl nicotine
• (-)-(S)-Nornicotine
• (S)-(-)-Nornicotine
• NORNICOTINE [MI]
• (S)-1''-demethylnicotine
• 5-23-06-00062 (Beilstein Handbook Reference)
• NORNICOTINE, DL-(RG)
• SCHEMBL158146
• DTXSID7075420
• NICOTINE, 1'-DEMETHYL-
• MYKUKUCHPMASKF-VIFPVBQESA-N
• US8609708, 90 Nornicotine
• 3-[(2S)-2-pyrrolidinyl]pyridine
• BDBM50035415
• CS3561
• MFCD03703484
• AKOS006277281
• CS-W021170
• HY-W040430
• 3-(2S)-2-PYRROLIDINYLPYRIDINE
• DS-15937
• NICOTINE IMPURITY F [EP IMPURITY]
• EN300-96072
• A827730
• NICOTINE RESINATE IMPURITY F [EP IMPURITY]
• NICOTINE DITARTRATE DIHYDRATE IMPURITY F [EP IMPURITY]

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3137262	O60341	LSD1/CoREST complex	95.37%	97.09%
CHEMBL1907589	P17787	Neuronal acetylcholine receptor; alpha4/beta2	94.11%	94.55%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.16%	94.45%
CHEMBL2996	Q05655	Protein kinase C delta	87.75%	97.79%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.01%	96.09%
CHEMBL1075145	P55072	Transitional endoplasmic reticulum ATPase	86.01%	98.50%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	85.22%	92.88%
CHEMBL255	P29275	Adenosine A2b receptor	84.95%	98.59%
CHEMBL4225	P49760	Dual specificity protein kinase CLK2	84.13%	80.96%
CHEMBL226	P30542	Adenosine A1 receptor	82.23%	95.93%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.01%	95.89%
CHEMBL3920	Q04759	Protein kinase C theta	81.91%	97.69%
CHEMBL2039	P27338	Monoamine oxidase B	81.77%	92.51%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	81.51%	85.30%
CHEMBL1951	P21397	Monoamine oxidase A	81.44%	91.49%
CHEMBL3524	P56524	Histone deacetylase 4	80.21%	92.97%

Plants that contains it

• Nicotiana excelsior
• Nicotiana glauca
• Nicotiana sylvestris
• Vachellia rigidula

Cross-Links

• PubChem: 91462
• LOTUS: LTS0171840
• wikiData: Q28466251