methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate

C8H8FNO3 — CID 174899259

IUPACmethyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate
SMILESCOC(=O)c1c(F)ccc(=O)n1C
InChIInChI=1S/C8H8FNO3/c1-10-6(11)4-3-5(9)7(10)8(12)13-2/h3-4H,1-2H3
InChIKeyGUVGWYZBOGWNTG-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.31
Rot. Bonds1

About methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate

methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate (PubChem CID 174899259) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate
PubChem CID174899259
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Namemethyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate
SMILESCOC(=O)c1c(F)ccc(=O)n1C
InChIInChI=1S/C8H8FNO3/c1-10-6(11)4-3-5(9)7(10)8(12)13-2/h3-4H,1-2H3
InChIKeyGUVGWYZBOGWNTG-UHFFFAOYSA-N
XLogP0.31
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate (CID 174899259) is methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate is COC(=O)c1c(F)ccc(=O)n1C.
What is the InChIKey of methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate?
The InChIKey is GUVGWYZBOGWNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-10-6(11)4-3-5(9)7(10)8(12)13-2/h3-4H,1-2H3.
What are the key properties of methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate?
methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate has a molecular weight of 185.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-1-methyl-6-oxopyridine-2-carboxylate is sourced from PubChem (CID 174899259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).