ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate

C10H12FNO3 — CID 81298513

IUPACethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)C(F)n1cccc(C)c1=O
InChIInChI=1S/C10H12FNO3/c1-3-15-10(14)8(11)12-6-4-5-7(2)9(12)13/h4-6,8H,3H2,1-2H3
InChIKeyPKQKMDNIFUKGML-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.19
Rot. Bonds3

About ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate

ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate (PubChem CID 81298513) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate
PubChem CID81298513
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)C(F)n1cccc(C)c1=O
InChIInChI=1S/C10H12FNO3/c1-3-15-10(14)8(11)12-6-4-5-7(2)9(12)13/h4-6,8H,3H2,1-2H3
InChIKeyPKQKMDNIFUKGML-UHFFFAOYSA-N
XLogP1.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate (CID 81298513) is ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate is CCOC(=O)C(F)n1cccc(C)c1=O.
What is the InChIKey of ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is PKQKMDNIFUKGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-3-15-10(14)8(11)12-6-4-5-7(2)9(12)13/h4-6,8H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate?
ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 213.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 81298513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).