3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine

C9H13N2+ — CID 6950513

IUPAC3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine
SMILESc1cncc([C@@H]2CCC[NH2+]2)c1
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/p+1/t9-/m0/s1
InChIKeyMYKUKUCHPMASKF-VIFPVBQESA-O
MW149.22 g/mol
LogP0.48
Rot. Bonds1

About 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine

3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine (PubChem CID 6950513) has the molecular formula C9H13N2+ and a molecular weight of 149.22 g/mol. Its IUPAC name is 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine
PubChem CID6950513
Molecular FormulaC9H13N2+
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Name3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine
SMILESc1cncc([C@@H]2CCC[NH2+]2)c1
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/p+1/t9-/m0/s1
InChIKeyMYKUKUCHPMASKF-VIFPVBQESA-O
XLogP0.48
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine?
The IUPAC name of 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine (CID 6950513) is 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine is c1cncc([C@@H]2CCC[NH2+]2)c1.
What is the InChIKey of 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine?
The InChIKey is MYKUKUCHPMASKF-VIFPVBQESA-O. 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/p+1/t9-/m0/s1.
What are the key properties of 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine?
3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine has a molecular weight of 149.22 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine is sourced from PubChem (CID 6950513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).