2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine

C12H17ClN2 — CID 134857061

IUPAC2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2/c1-9-5-3-6-10(2)15(9)12-8-4-7-11(13)14-12/h4,7-10H,3,5-6H2,1-2H3/t9-,10+
InChIKeyDMFLFABWSKWRHX-AOOOYVTPSA-N
MW224.73 g/mol
LogP3.50
Rot. Bonds1

About 2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine

2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine (PubChem CID 134857061) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine
PubChem CID134857061
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2/c1-9-5-3-6-10(2)15(9)12-8-4-7-11(13)14-12/h4,7-10H,3,5-6H2,1-2H3/t9-,10+
InChIKeyDMFLFABWSKWRHX-AOOOYVTPSA-N
XLogP3.50
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 ≤ 53.50
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-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine?
The IUPAC name of 2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine (CID 134857061) is 2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine.
What is the SMILES notation for 2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine?
The canonical SMILES for 2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine is C[C@@H]1CCC[C@H](C)N1c1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine?
The InChIKey is DMFLFABWSKWRHX-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-5-3-6-10(2)15(9)12-8-4-7-11(13)14-12/h4,7-10H,3,5-6H2,1-2H3/t9-,10+.
What are the key properties of 2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine?
2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine has a molecular weight of 224.73 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine is sourced from PubChem (CID 134857061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).