2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C10H13ClN2 — CID 10631771

IUPAC2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1
InChIKeySVVOLGNZRGLPIU-VIFPVBQESA-N
MW196.68 g/mol
LogP2.50
Rot. Bonds1

About 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 10631771) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID10631771
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1
InChIKeySVVOLGNZRGLPIU-VIFPVBQESA-N
XLogP2.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 10631771) is 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is CN1CCC[C@H]1c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is SVVOLGNZRGLPIU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1.
What are the key properties of 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 196.68 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 10631771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).