ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate

C9H10FNO3 — CID 174273042

IUPACethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C9H10FNO3/c1-3-14-9(13)6-4-7(10)8(12)11(2)5-6/h4-5H,3H2,1-2H3
InChIKeyXYRIBTJQOLYGRQ-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.70
Rot. Bonds2

About ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate

ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 174273042) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate
PubChem CID174273042
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Nameethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C9H10FNO3/c1-3-14-9(13)6-4-7(10)8(12)11(2)5-6/h4-5H,3H2,1-2H3
InChIKeyXYRIBTJQOLYGRQ-UHFFFAOYSA-N
XLogP0.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate (CID 174273042) is ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1cc(F)c(=O)n(C)c1.
What is the InChIKey of ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is XYRIBTJQOLYGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-3-14-9(13)6-4-7(10)8(12)11(2)5-6/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 199.18 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 174273042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).