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

C10H15N2+ — CID 6919000

IUPAC3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine
SMILESC[NH+]1CCC[C@H]1c1cccnc1
InChIInChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1
InChIKeySNICXCGAKADSCV-JTQLQIEISA-O
MW163.24 g/mol
LogP0.43
Rot. Bonds1

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

3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine (PubChem CID 6919000) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine
PubChem CID6919000
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine
SMILESC[NH+]1CCC[C@H]1c1cccnc1
InChIInChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1
InChIKeySNICXCGAKADSCV-JTQLQIEISA-O
XLogP0.43
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine (CID 6919000) is 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine is C[NH+]1CCC[C@H]1c1cccnc1.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine?
The InChIKey is SNICXCGAKADSCV-JTQLQIEISA-O. The full InChI is InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine?
3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine has a molecular weight of 163.24 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine is sourced from PubChem (CID 6919000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).