pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate

C15H14FNO2 — CID 78806036

IUPACpyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate
SMILESO=C(CCc1ccc(F)cc1)OCc1ccccn1
InChIInChI=1S/C15H14FNO2/c16-13-7-4-12(5-8-13)6-9-15(18)19-11-14-3-1-2-10-17-14/h1-5,7-8,10H,6,9,11H2
InChIKeyUVFZCQNYLCVYDD-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.90
Rot. Bonds5

About pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate

pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate (PubChem CID 78806036) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate
PubChem CID78806036
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Namepyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate
SMILESO=C(CCc1ccc(F)cc1)OCc1ccccn1
InChIInChI=1S/C15H14FNO2/c16-13-7-4-12(5-8-13)6-9-15(18)19-11-14-3-1-2-10-17-14/h1-5,7-8,10H,6,9,11H2
InChIKeyUVFZCQNYLCVYDD-UHFFFAOYSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate?
The IUPAC name of pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate (CID 78806036) is pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate?
The canonical SMILES for pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate is O=C(CCc1ccc(F)cc1)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate?
The InChIKey is UVFZCQNYLCVYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-7-4-12(5-8-13)6-9-15(18)19-11-14-3-1-2-10-17-14/h1-5,7-8,10H,6,9,11H2.
What are the key properties of pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate?
pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate has a molecular weight of 259.28 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 78806036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).