4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine

C11H15ClN2 — CID 102785783

IUPAC4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine
SMILESCC1CCN(c2ccncc2)C1CCl
InChIInChI=1S/C11H15ClN2/c1-9-4-7-14(11(9)8-12)10-2-5-13-6-3-10/h2-3,5-6,9,11H,4,7-8H2,1H3
InChIKeyGMQJVQIRBOZYLL-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.54
Rot. Bonds2

About 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine

4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine (PubChem CID 102785783) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine
PubChem CID102785783
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine
SMILESCC1CCN(c2ccncc2)C1CCl
InChIInChI=1S/C11H15ClN2/c1-9-4-7-14(11(9)8-12)10-2-5-13-6-3-10/h2-3,5-6,9,11H,4,7-8H2,1H3
InChIKeyGMQJVQIRBOZYLL-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine
CID 102786075
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102783955
[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787683
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644
2-(chloromethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpyrrolidine
CID 107304175
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile
CID 102780843
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide
CID 102781467
4-(2-ethoxypiperidin-1-yl)pyridine
CID 139888390
2-(chloromethyl)-3-methyl-1-(2-propylsulfonylphenyl)pyrrolidine
CID 102785770
3-chloro-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 102785855
5-bromo-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)pyridine
CID 106797166

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine?
The IUPAC name of 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine (CID 102785783) is 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine.
What is the SMILES notation for 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine?
The canonical SMILES for 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine is CC1CCN(c2ccncc2)C1CCl.
What is the InChIKey of 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine?
The InChIKey is GMQJVQIRBOZYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-9-4-7-14(11(9)8-12)10-2-5-13-6-3-10/h2-3,5-6,9,11H,4,7-8H2,1H3.
What are the key properties of 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine?
4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine is sourced from PubChem (CID 102785783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).