tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate

C10H14FNO3 — CID 155921073

IUPACtert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C=C(F)C1
InChIInChI=1S/C10H14FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(13)6-12/h4H,5-6H2,1-3H3
InChIKeyWFYGZHOMLADZID-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.66
Rot. Bonds

About tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate

tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate (PubChem CID 155921073) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate
PubChem CID155921073
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Nametert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C=C(F)C1
InChIInChI=1S/C10H14FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(13)6-12/h4H,5-6H2,1-3H3
InChIKeyWFYGZHOMLADZID-UHFFFAOYSA-N
XLogP1.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate (CID 155921073) is tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC(=O)C=C(F)C1.
What is the InChIKey of tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate?
The InChIKey is WFYGZHOMLADZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(13)6-12/h4H,5-6H2,1-3H3.
What are the key properties of tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate?
tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate has a molecular weight of 215.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-5-oxo-2,6-dihydropyridine-1-carboxylate is sourced from PubChem (CID 155921073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).