2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate

C11H14FNO3 — CID 174271690

IUPAC2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate
SMILESCC(C)COC(=O)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C11H14FNO3/c1-7(2)6-16-11(15)8-4-9(12)10(14)13(3)5-8/h4-5,7H,6H2,1-3H3
InChIKeyGGLHTRPTXUNDOP-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.34
Rot. Bonds3

About 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate

2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 174271690) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate
PubChem CID174271690
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate
SMILESCC(C)COC(=O)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C11H14FNO3/c1-7(2)6-16-11(15)8-4-9(12)10(14)13(3)5-8/h4-5,7H,6H2,1-3H3
InChIKeyGGLHTRPTXUNDOP-UHFFFAOYSA-N
XLogP1.34
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate (CID 174271690) is 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate is CC(C)COC(=O)c1cc(F)c(=O)n(C)c1.
What is the InChIKey of 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is GGLHTRPTXUNDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7(2)6-16-11(15)8-4-9(12)10(14)13(3)5-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 227.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-fluoro-1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 174271690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).