2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine

C11H15ClN2 — CID 62255365

IUPAC2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCN(c2cccc(CCl)n2)C1
InChIInChI=1S/C11H15ClN2/c1-9-5-6-14(8-9)11-4-2-3-10(7-12)13-11/h2-4,9H,5-8H2,1H3
InChIKeySTWGJTNPYDQSEV-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.67
Rot. Bonds2

About 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine

2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine (PubChem CID 62255365) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine
PubChem CID62255365
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCN(c2cccc(CCl)n2)C1
InChIInChI=1S/C11H15ClN2/c1-9-5-6-14(8-9)11-4-2-3-10(7-12)13-11/h2-4,9H,5-8H2,1H3
InChIKeySTWGJTNPYDQSEV-UHFFFAOYSA-N
XLogP2.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine (CID 62255365) is 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine is CC1CCN(c2cccc(CCl)n2)C1.
What is the InChIKey of 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine?
The InChIKey is STWGJTNPYDQSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-9-5-6-14(8-9)11-4-2-3-10(7-12)13-11/h2-4,9H,5-8H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine?
2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 62255365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).