tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate

C11H15BrN2O3 — CID 118024925

IUPACtert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate
SMILESCc1c(Br)c[nH]c(=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15BrN2O3/c1-6-7(12)5-13-9(15)8(6)14-10(16)17-11(2,3)4/h5H,1-4H3,(H,13,15)(H,14,16)
InChIKeyOWLJTJYKKLHAGK-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.79
Rot. Bonds1

About tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate

tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate (PubChem CID 118024925) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate
PubChem CID118024925
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Nametert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate
SMILESCc1c(Br)c[nH]c(=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15BrN2O3/c1-6-7(12)5-13-9(15)8(6)14-10(16)17-11(2,3)4/h5H,1-4H3,(H,13,15)(H,14,16)
InChIKeyOWLJTJYKKLHAGK-UHFFFAOYSA-N
XLogP2.79
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate (CID 118024925) is tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate is Cc1c(Br)c[nH]c(=O)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate?
The InChIKey is OWLJTJYKKLHAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-6-7(12)5-13-9(15)8(6)14-10(16)17-11(2,3)4/h5H,1-4H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate?
tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate has a molecular weight of 303.16 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-4-methyl-2-oxo-1H-pyridin-3-yl)carbamate is sourced from PubChem (CID 118024925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).