3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine

C11H15FN2O — CID 54319796

IUPAC3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1C[C@@H](F)C[C@H]1COc1cccnc1
InChIInChI=1S/C11H15FN2O/c1-14-7-9(12)5-10(14)8-15-11-3-2-4-13-6-11/h2-4,6,9-10H,5,7-8H2,1H3/t9-,10-/m0/s1
InChIKeySQUZDPPCXZMFIC-UWVGGRQHSA-N
MW210.25 g/mol
LogP1.50
Rot. Bonds3

About 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine

3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54319796) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID54319796
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1C[C@@H](F)C[C@H]1COc1cccnc1
InChIInChI=1S/C11H15FN2O/c1-14-7-9(12)5-10(14)8-15-11-3-2-4-13-6-11/h2-4,6,9-10H,5,7-8H2,1H3/t9-,10-/m0/s1
InChIKeySQUZDPPCXZMFIC-UWVGGRQHSA-N
XLogP1.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 54319796) is 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine is CN1C[C@@H](F)C[C@H]1COc1cccnc1.
What is the InChIKey of 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is SQUZDPPCXZMFIC-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-14-7-9(12)5-10(14)8-15-11-3-2-4-13-6-11/h2-4,6,9-10H,5,7-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine?
3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 210.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54319796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).