4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine

C18H16FNOS — CID 130445377

IUPAC4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine
SMILESCCOCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H16FNOS/c1-2-21-12-16-11-17(13-7-9-20-10-8-13)18(22-16)14-3-5-15(19)6-4-14/h3-11H,2,12H2,1H3
InChIKeyKQBAPOXFUGTMLQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.15
Rot. Bonds5

About 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine

4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine (PubChem CID 130445377) has the molecular formula C18H16FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine
PubChem CID130445377
Molecular FormulaC18H16FNOS
Molecular Weight313.40 g/mol
Exact Mass313.09
IUPAC Name4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine
SMILESCCOCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H16FNOS/c1-2-21-12-16-11-17(13-7-9-20-10-8-13)18(22-16)14-3-5-15(19)6-4-14/h3-11H,2,12H2,1H3
InChIKeyKQBAPOXFUGTMLQ-UHFFFAOYSA-N
XLogP5.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine?
The IUPAC name of 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine (CID 130445377) is 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine.
What is the SMILES notation for 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine?
The canonical SMILES for 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine is CCOCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine?
The InChIKey is KQBAPOXFUGTMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c1-2-21-12-16-11-17(13-7-9-20-10-8-13)18(22-16)14-3-5-15(19)6-4-14/h3-11H,2,12H2,1H3.
What are the key properties of 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine?
4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine has a molecular weight of 313.40 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethoxymethyl)-2-(4-fluorophenyl)thiophen-3-yl]pyridine is sourced from PubChem (CID 130445377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).