3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C17H27FN2O — CID 67429077

IUPAC3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1cncc(CCCCCCF)c1
InChIInChI=1S/C17H27FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-10,14H2,1H3/t16-/m0/s1
InChIKeyVWPBFZREXOECLW-INIZCTEOSA-N
MW294.41 g/mol
LogP3.63
Rot. Bonds9

About 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 67429077) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID67429077
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1cncc(CCCCCCF)c1
InChIInChI=1S/C17H27FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-10,14H2,1H3/t16-/m0/s1
InChIKeyVWPBFZREXOECLW-INIZCTEOSA-N
XLogP3.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 67429077) is 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is CN1CCC[C@H]1COc1cncc(CCCCCCF)c1.
What is the InChIKey of 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is VWPBFZREXOECLW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-10,14H2,1H3/t16-/m0/s1.
What are the key properties of 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 294.41 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluorohexyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 67429077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).