methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate

C15H14FNO3 — CID 177191359

IUPACmethyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2cccc(F)c2=O)cc1
InChIInChI=1S/C15H14FNO3/c1-20-14(18)9-11-4-6-12(7-5-11)10-17-8-2-3-13(16)15(17)19/h2-8H,9-10H2,1H3
InChIKeyASUWQTIIYMZBME-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.75
Rot. Bonds4

About methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate

methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate (PubChem CID 177191359) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate
PubChem CID177191359
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2cccc(F)c2=O)cc1
InChIInChI=1S/C15H14FNO3/c1-20-14(18)9-11-4-6-12(7-5-11)10-17-8-2-3-13(16)15(17)19/h2-8H,9-10H2,1H3
InChIKeyASUWQTIIYMZBME-UHFFFAOYSA-N
XLogP1.75
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate (CID 177191359) is methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate is COC(=O)Cc1ccc(Cn2cccc(F)c2=O)cc1.
What is the InChIKey of methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate?
The InChIKey is ASUWQTIIYMZBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-14(18)9-11-4-6-12(7-5-11)10-17-8-2-3-13(16)15(17)19/h2-8H,9-10H2,1H3.
What are the key properties of methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate?
methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate has a molecular weight of 275.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]acetate is sourced from PubChem (CID 177191359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).