ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate

C10H13BrN2O3 — CID 139371054

IUPACethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate
SMILESCCOC(=O)Nc1c(C)c(Br)cn(C)c1=O
InChIInChI=1S/C10H13BrN2O3/c1-4-16-10(15)12-8-6(2)7(11)5-13(3)9(8)14/h5H,4H2,1-3H3,(H,12,15)
InChIKeyQPCHYFKFCJVIAH-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.02
Rot. Bonds2

About ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate

ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate (PubChem CID 139371054) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate
PubChem CID139371054
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Nameethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate
SMILESCCOC(=O)Nc1c(C)c(Br)cn(C)c1=O
InChIInChI=1S/C10H13BrN2O3/c1-4-16-10(15)12-8-6(2)7(11)5-13(3)9(8)14/h5H,4H2,1-3H3,(H,12,15)
InChIKeyQPCHYFKFCJVIAH-UHFFFAOYSA-N
XLogP2.02
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide
CID 167821213
ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate
CID 10559867
ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate
CID 155663388
5-bromo-2-(ethoxycarbonylamino)-3-methylbenzoic acid
CID 162371314
ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 64592207
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
ethyl N-(2,4-diamino-5-methylphenyl)carbamate
CID 154351383
ethyl N-[4-bromo-3-(chlorodisulfanyl)phenyl]carbamate
CID 21150661
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
CID 14948425
ethyl N-hydroxycarbamate
CID 11510
ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate
CID 58729035

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate?
The IUPAC name of ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate (CID 139371054) is ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate is CCOC(=O)Nc1c(C)c(Br)cn(C)c1=O.
What is the InChIKey of ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate?
The InChIKey is QPCHYFKFCJVIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-4-16-10(15)12-8-6(2)7(11)5-13(3)9(8)14/h5H,4H2,1-3H3,(H,12,15).
What are the key properties of ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate?
ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate has a molecular weight of 289.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate is sourced from PubChem (CID 139371054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).