methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate

C8H8FNO3 — CID 131096569

IUPACmethyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]cc1F
InChIInChI=1S/C8H8FNO3/c1-13-8(12)3-5-2-7(11)10-4-6(5)9/h2,4H,3H2,1H3,(H,10,11)
InChIKeySWZDADSFDDBQSW-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.23
Rot. Bonds2

About methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate

methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate (PubChem CID 131096569) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate
PubChem CID131096569
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Namemethyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]cc1F
InChIInChI=1S/C8H8FNO3/c1-13-8(12)3-5-2-7(11)10-4-6(5)9/h2,4H,3H2,1H3,(H,10,11)
InChIKeySWZDADSFDDBQSW-UHFFFAOYSA-N
XLogP0.23
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate?
The IUPAC name of methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate (CID 131096569) is methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate.
What is the SMILES notation for methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate?
The canonical SMILES for methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate is COC(=O)Cc1cc(=O)[nH]cc1F.
What is the InChIKey of methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate?
The InChIKey is SWZDADSFDDBQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-13-8(12)3-5-2-7(11)10-4-6(5)9/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate?
methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate has a molecular weight of 185.15 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate is sourced from PubChem (CID 131096569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).