4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine

C9H13N2+ — CID 7047807

IUPAC4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine
SMILESc1cc([C@H]2CCC[NH2+]2)ccn1
InChIInChI=1S/C9H12N2/c1-2-9(11-5-1)8-3-6-10-7-4-8/h3-4,6-7,9,11H,1-2,5H2/p+1/t9-/m1/s1
InChIKeyGDGNPIOGJLCICG-SECBINFHSA-O
MW149.22 g/mol
LogP0.48
Rot. Bonds1

About 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine

4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine (PubChem CID 7047807) has the molecular formula C9H13N2+ and a molecular weight of 149.22 g/mol. Its IUPAC name is 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine.

Molecular Properties

Compound Name4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine
PubChem CID7047807
Molecular FormulaC9H13N2+
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Name4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine
SMILESc1cc([C@H]2CCC[NH2+]2)ccn1
InChIInChI=1S/C9H12N2/c1-2-9(11-5-1)8-3-6-10-7-4-8/h3-4,6-7,9,11H,1-2,5H2/p+1/t9-/m1/s1
InChIKeyGDGNPIOGJLCICG-SECBINFHSA-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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Related Compounds

Nicotine
CID 89594
Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Prothionamide
CID 666418
4-Vinylpyridine
CID 7502
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Betahistine
CID 2366

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine?
The IUPAC name of 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine (CID 7047807) is 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine.
What is the SMILES notation for 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine?
The canonical SMILES for 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine is c1cc([C@H]2CCC[NH2+]2)ccn1.
What is the InChIKey of 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine?
The InChIKey is GDGNPIOGJLCICG-SECBINFHSA-O. The full InChI is InChI=1S/C9H12N2/c1-2-9(11-5-1)8-3-6-10-7-4-8/h3-4,6-7,9,11H,1-2,5H2/p+1/t9-/m1/s1.
What are the key properties of 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine?
4-[(2R)-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 4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine is sourced from PubChem (CID 7047807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).