5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine

C11H19FN2 — CID 130767386

IUPAC5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(CCC2CCCN2)C1
InChIInChI=1S/C11H19FN2/c12-10-3-2-7-14(9-10)8-5-11-4-1-6-13-11/h3,11,13H,1-2,4-9H2
InChIKeyWKWDPFIULLDLMT-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.69
Rot. Bonds3

About 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine

5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 130767386) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine
PubChem CID130767386
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(CCC2CCCN2)C1
InChIInChI=1S/C11H19FN2/c12-10-3-2-7-14(9-10)8-5-11-4-1-6-13-11/h3,11,13H,1-2,4-9H2
InChIKeyWKWDPFIULLDLMT-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine (CID 130767386) is 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine is FC1=CCCN(CCC2CCCN2)C1.
What is the InChIKey of 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is WKWDPFIULLDLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c12-10-3-2-7-14(9-10)8-5-11-4-1-6-13-11/h3,11,13H,1-2,4-9H2.
What are the key properties of 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine?
5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 198.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130767386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).