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

C13H15ClFNO — CID 135082824

IUPAC1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H15ClFNO/c1-2-17-11-5-7-16(8-6-11)13-4-3-10(14)9-12(13)15/h3-5,9H,2,6-8H2,1H3
InChIKeyJSPSZOLYYCHZHB-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.61
Rot. Bonds3

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

1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine (PubChem CID 135082824) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine
PubChem CID135082824
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H15ClFNO/c1-2-17-11-5-7-16(8-6-11)13-4-3-10(14)9-12(13)15/h3-5,9H,2,6-8H2,1H3
InChIKeyJSPSZOLYYCHZHB-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine (CID 135082824) is 1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine is CCOC1=CCN(c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
The InChIKey is JSPSZOLYYCHZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-2-17-11-5-7-16(8-6-11)13-4-3-10(14)9-12(13)15/h3-5,9H,2,6-8H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine?
1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine has a molecular weight of 255.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 135082824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).