tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate

C11H15FN2O3 — CID 177301397

IUPACtert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(=O)[nH]cc1F
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)14(4)8-5-9(15)13-6-7(8)12/h5-6H,1-4H3,(H,13,15)
InChIKeyOKLVTVPKGGFWGX-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.89
Rot. Bonds1

About tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate

tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate (PubChem CID 177301397) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate
PubChem CID177301397
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(=O)[nH]cc1F
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)14(4)8-5-9(15)13-6-7(8)12/h5-6H,1-4H3,(H,13,15)
InChIKeyOKLVTVPKGGFWGX-UHFFFAOYSA-N
XLogP1.89
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate (CID 177301397) is tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(=O)[nH]cc1F.
What is the InChIKey of tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate?
The InChIKey is OKLVTVPKGGFWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)14(4)8-5-9(15)13-6-7(8)12/h5-6H,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate?
tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate has a molecular weight of 242.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate is sourced from PubChem (CID 177301397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).