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

C10H15ClN2 — CID 5284430

IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride
SMILESCN1CCC[C@H]1c1cccnc1.Cl
InChIInChI=1S/C10H14N2.ClH/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;/h2,4,6,8,10H,3,5,7H2,1H3;1H/t10-;/m0./s1
InChIKeyHDJBTCAJIMNXEW-PPHPATTJSA-N
MW198.70 g/mol
LogP2.27
Rot. Bonds1

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

3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride (PubChem CID 5284430) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride
PubChem CID5284430
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride
SMILESCN1CCC[C@H]1c1cccnc1.Cl
InChIInChI=1S/C10H14N2.ClH/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;/h2,4,6,8,10H,3,5,7H2,1H3;1H/t10-;/m0./s1
InChIKeyHDJBTCAJIMNXEW-PPHPATTJSA-N
XLogP2.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride (CID 5284430) is 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride is CN1CCC[C@H]1c1cccnc1.Cl.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride?
The InChIKey is HDJBTCAJIMNXEW-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;/h2,4,6,8,10H,3,5,7H2,1H3;1H/t10-;/m0./s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride?
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;hydrochloride is sourced from PubChem (CID 5284430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).