2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide

C9H11BrN2O2 — CID 26217352

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H11BrN2O2/c1-2-11-8(13)6-12-5-7(10)3-4-9(12)14/h3-5H,2,6H2,1H3,(H,11,13)
InChIKeyCDTDUKGCPWDWFI-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.75
Rot. Bonds3

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide (PubChem CID 26217352) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
PubChem CID26217352
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H11BrN2O2/c1-2-11-8(13)6-12-5-7(10)3-4-9(12)14/h3-5H,2,6H2,1H3,(H,11,13)
InChIKeyCDTDUKGCPWDWFI-UHFFFAOYSA-N
XLogP0.75
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide (CID 26217352) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide is CCNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide?
The InChIKey is CDTDUKGCPWDWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-2-11-8(13)6-12-5-7(10)3-4-9(12)14/h3-5H,2,6H2,1H3,(H,11,13).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide has a molecular weight of 259.10 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide is sourced from PubChem (CID 26217352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).