tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate

C11H15BrN2O3 — CID 118022092

IUPACtert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate
SMILESCn1cc(Br)cc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(16)13-8-5-7(12)6-14(4)9(8)15/h5-6H,1-4H3,(H,13,16)
InChIKeyYZCQHYOYNWJJBM-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.49
Rot. Bonds1

About tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate

tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate (PubChem CID 118022092) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate
PubChem CID118022092
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Nametert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate
SMILESCn1cc(Br)cc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(16)13-8-5-7(12)6-14(4)9(8)15/h5-6H,1-4H3,(H,13,16)
InChIKeyYZCQHYOYNWJJBM-UHFFFAOYSA-N
XLogP2.49
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate
CID 11138359
tert-butyl N-[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamate
CID 170616522
tert-butyl N-[1-(2-fluoroethyl)-2-oxo-1,2-dihydropyridin-3-yl]carbamate
CID 165915364
tert-butyl N-(2-hydroxy-5-iodopyridin-3-yl)carbamate
CID 22556017
tert-butyl N-(6-methyl-2-oxo-1-prop-2-ynyl-3-pyridinyl)carbamate
CID 23551935
tert-butyl N-(6-carbamoyl-1-propyl-2H-pyridin-3-yl)-N-methylcarbamate
CID 53748714
tert-Butyl 2-(5-bromo-2-oxopyridin-1(2H)-yl)ethylcarbamate
CID 59843078
tert-Butyl (1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbamate
CID 72183332
tert-Butyl N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)carbamate
CID 84559180
tert-butyl N-[5-bromo-2-methylidene-1-[(Z)-prop-1-enyl]-3-pyridinyl]carbamate
CID 89398986
tert-butyl N-(5-bromo-1-methyl-2-oxopyridin-3-yl)-N-ethylcarbamate
CID 118021567
Tert-butyl 5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl(methyl)carbamate
CID 118022858

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate (CID 118022092) is tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate is Cn1cc(Br)cc(NC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate?
The InChIKey is YZCQHYOYNWJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(16)13-8-5-7(12)6-14(4)9(8)15/h5-6H,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate?
tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate has a molecular weight of 303.16 g/mol, XLogP of 2.49, 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-bromo-1-methyl-2-oxo-3-pyridinyl)carbamate is sourced from PubChem (CID 118022092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).