tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate

C11H15FN2O3 — CID 168982313

IUPACtert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate
SMILESCn1cc(F)c(NC(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)13-8-5-9(15)14(4)6-7(8)12/h5-6H,1-4H3,(H,13,16)
InChIKeyIJZHKZFPUIDUME-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.87
Rot. Bonds1

About tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate

tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate (PubChem CID 168982313) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate
PubChem CID168982313
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate
SMILESCn1cc(F)c(NC(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)13-8-5-9(15)14(4)6-7(8)12/h5-6H,1-4H3,(H,13,16)
InChIKeyIJZHKZFPUIDUME-UHFFFAOYSA-N
XLogP1.87
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate (CID 168982313) is tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate is Cn1cc(F)c(NC(=O)OC(C)(C)C)cc1=O.
What is the InChIKey of tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate?
The InChIKey is IJZHKZFPUIDUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)13-8-5-9(15)14(4)6-7(8)12/h5-6H,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate?
tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate has a molecular weight of 242.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate is sourced from PubChem (CID 168982313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).