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

C10H15N2+ — CID 7047988

IUPAC2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine
SMILESc1ccc(C[C@@H]2CCC[NH2+]2)nc1
InChIInChI=1S/C10H14N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-2,4,6,10,12H,3,5,7-8H2/p+1/t10-/m0/s1
InChIKeyHAPUOOBIEAPWAZ-JTQLQIEISA-O
MW163.24 g/mol
LogP0.35
Rot. Bonds2

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

2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine (PubChem CID 7047988) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine
PubChem CID7047988
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine
SMILESc1ccc(C[C@@H]2CCC[NH2+]2)nc1
InChIInChI=1S/C10H14N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-2,4,6,10,12H,3,5,7-8H2/p+1/t10-/m0/s1
InChIKeyHAPUOOBIEAPWAZ-JTQLQIEISA-O
XLogP0.35
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylmethyl)pyridine
CID 14762660
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
(2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium
CID 7047956
2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine
CID 58318500
2-[[4-(2-methylpropyl)cyclohexyl]methyl]pyridine
CID 129147354
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
dicyclohexyl(2-pyridin-2-ylethyl)phosphane
CID 15721276
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine
CID 10125220
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110096214
2-(chloromethyl)pyridine;hydron;chloride
CID 67269716

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine?
The IUPAC name of 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine (CID 7047988) is 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine?
The canonical SMILES for 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine is c1ccc(C[C@@H]2CCC[NH2+]2)nc1.
What is the InChIKey of 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine?
The InChIKey is HAPUOOBIEAPWAZ-JTQLQIEISA-O. The full InChI is InChI=1S/C10H14N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-2,4,6,10,12H,3,5,7-8H2/p+1/t10-/m0/s1.
What are the key properties of 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine?
2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine has a molecular weight of 163.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine is sourced from PubChem (CID 7047988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).