3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine

C11H15FN2 — CID 169114355

IUPAC3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine
SMILESC[C@H]1CC[C@H](c2cncc(F)c2)NC1
InChIInChI=1S/C11H15FN2/c1-8-2-3-11(14-5-8)9-4-10(12)7-13-6-9/h4,6-8,11,14H,2-3,5H2,1H3/t8-,11+/m0/s1
InChIKeyQIEVCXNTXCADGA-GZMMTYOYSA-N
MW194.25 g/mol
LogP2.28
Rot. Bonds1

About 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine

3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine (PubChem CID 169114355) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine
PubChem CID169114355
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine
SMILESC[C@H]1CC[C@H](c2cncc(F)c2)NC1
InChIInChI=1S/C11H15FN2/c1-8-2-3-11(14-5-8)9-4-10(12)7-13-6-9/h4,6-8,11,14H,2-3,5H2,1H3/t8-,11+/m0/s1
InChIKeyQIEVCXNTXCADGA-GZMMTYOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine?
The IUPAC name of 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine (CID 169114355) is 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine.
What is the SMILES notation for 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine?
The canonical SMILES for 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine is C[C@H]1CC[C@H](c2cncc(F)c2)NC1.
What is the InChIKey of 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine?
The InChIKey is QIEVCXNTXCADGA-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-8-2-3-11(14-5-8)9-4-10(12)7-13-6-9/h4,6-8,11,14H,2-3,5H2,1H3/t8-,11+/m0/s1.
What are the key properties of 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine?
3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine has a molecular weight of 194.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine is sourced from PubChem (CID 169114355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).