3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine

C14H12FNO — CID 59282932

IUPAC3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
SMILESCOc1ccc(/C=C/c2cncc(F)c2)cc1
InChIInChI=1S/C14H12FNO/c1-17-14-6-4-11(5-7-14)2-3-12-8-13(15)10-16-9-12/h2-10H,1H3/b3-2+
InChIKeyQUHSNZQNDAGLJQ-NSCUHMNNSA-N
MW229.25 g/mol
LogP3.40
Rot. Bonds3

About 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine

3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine (PubChem CID 59282932) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
PubChem CID59282932
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
SMILESCOc1ccc(/C=C/c2cncc(F)c2)cc1
InChIInChI=1S/C14H12FNO/c1-17-14-6-4-11(5-7-14)2-3-12-8-13(15)10-16-9-12/h2-10H,1H3/b3-2+
InChIKeyQUHSNZQNDAGLJQ-NSCUHMNNSA-N
XLogP3.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine?
The IUPAC name of 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine (CID 59282932) is 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine is COc1ccc(/C=C/c2cncc(F)c2)cc1.
What is the InChIKey of 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine?
The InChIKey is QUHSNZQNDAGLJQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H12FNO/c1-17-14-6-4-11(5-7-14)2-3-12-8-13(15)10-16-9-12/h2-10H,1H3/b3-2+.
What are the key properties of 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine?
3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine has a molecular weight of 229.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 59282932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).