2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine

C12H17ClN2 — CID 79184553

IUPAC2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine
SMILESCC1CN(c2cccc(CCl)n2)CC1C
InChIInChI=1S/C12H17ClN2/c1-9-7-15(8-10(9)2)12-5-3-4-11(6-13)14-12/h3-5,9-10H,6-8H2,1-2H3
InChIKeyGHWJLLNHGKVWBU-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.91
Rot. Bonds2

About 2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine

2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine (PubChem CID 79184553) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine
PubChem CID79184553
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine
SMILESCC1CN(c2cccc(CCl)n2)CC1C
InChIInChI=1S/C12H17ClN2/c1-9-7-15(8-10(9)2)12-5-3-4-11(6-13)14-12/h3-5,9-10H,6-8H2,1-2H3
InChIKeyGHWJLLNHGKVWBU-UHFFFAOYSA-N
XLogP2.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.91
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-(3,4-dimethylpyrrolidin-1-yl)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine (CID 79184553) is 2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine is CC1CN(c2cccc(CCl)n2)CC1C.
What is the InChIKey of 2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine?
The InChIKey is GHWJLLNHGKVWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-7-15(8-10(9)2)12-5-3-4-11(6-13)14-12/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine?
2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine has a molecular weight of 224.73 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(3,4-dimethylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 79184553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).