4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine

C13H16FNO — CID 135082676

IUPAC4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO/c1-2-16-11-7-9-15(10-8-11)13-6-4-3-5-12(13)14/h3-7H,2,8-10H2,1H3
InChIKeyAZHMTBIVGPXQFV-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.96
Rot. Bonds3

About 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine

4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 135082676) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID135082676
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO/c1-2-16-11-7-9-15(10-8-11)13-6-4-3-5-12(13)14/h3-7H,2,8-10H2,1H3
InChIKeyAZHMTBIVGPXQFV-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 135082676) is 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine is CCOC1=CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is AZHMTBIVGPXQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-16-11-7-9-15(10-8-11)13-6-4-3-5-12(13)14/h3-7H,2,8-10H2,1H3.
What are the key properties of 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine?
4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 221.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 135082676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).