2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine

C12H17ClN2 — CID 130769997

IUPAC2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine
SMILESCc1cccc(N2CC(Cl)C(C)(C)C2)n1
InChIInChI=1S/C12H17ClN2/c1-9-5-4-6-11(14-9)15-7-10(13)12(2,3)8-15/h4-6,10H,7-8H2,1-3H3
InChIKeyUVCYBVRMOWJRDK-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.84
Rot. Bonds1

About 2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine

2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine (PubChem CID 130769997) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine.

Molecular Properties

Compound Name2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine
PubChem CID130769997
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine
SMILESCc1cccc(N2CC(Cl)C(C)(C)C2)n1
InChIInChI=1S/C12H17ClN2/c1-9-5-4-6-11(14-9)15-7-10(13)12(2,3)8-15/h4-6,10H,7-8H2,1-3H3
InChIKeyUVCYBVRMOWJRDK-UHFFFAOYSA-N
XLogP2.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.84
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-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine?
The IUPAC name of 2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine (CID 130769997) is 2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine.
What is the SMILES notation for 2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine?
The canonical SMILES for 2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine is Cc1cccc(N2CC(Cl)C(C)(C)C2)n1.
What is the InChIKey of 2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine?
The InChIKey is UVCYBVRMOWJRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-5-4-6-11(14-9)15-7-10(13)12(2,3)8-15/h4-6,10H,7-8H2,1-3H3.
What are the key properties of 2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine?
2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine has a molecular weight of 224.73 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,3-dimethylpyrrolidin-1-yl)-6-methylpyridine is sourced from PubChem (CID 130769997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).