tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate

C10H13FN2O3 — CID 118622100

IUPACtert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc[nH]c(=O)c1F
InChIInChI=1S/C10H13FN2O3/c1-10(2,3)16-9(15)13-6-4-5-12-8(14)7(6)11/h4-5H,1-3H3,(H2,12,13,14,15)
InChIKeyACPCCUGDJUHYCS-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.86
Rot. Bonds1

About tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate

tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate (PubChem CID 118622100) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
PubChem CID118622100
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Nametert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc[nH]c(=O)c1F
InChIInChI=1S/C10H13FN2O3/c1-10(2,3)16-9(15)13-6-4-5-12-8(14)7(6)11/h4-5H,1-3H3,(H2,12,13,14,15)
InChIKeyACPCCUGDJUHYCS-UHFFFAOYSA-N
XLogP1.86
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate (CID 118622100) is tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cc[nH]c(=O)c1F.
What is the InChIKey of tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate?
The InChIKey is ACPCCUGDJUHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-10(2,3)16-9(15)13-6-4-5-12-8(14)7(6)11/h4-5H,1-3H3,(H2,12,13,14,15).
What are the key properties of tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate?
tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate has a molecular weight of 228.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate is sourced from PubChem (CID 118622100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).