2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide

C10H13BrN2O3 — CID 60753950

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H13BrN2O3/c1-12(4-5-14)10(16)7-13-6-8(11)2-3-9(13)15/h2-3,6,14H,4-5,7H2,1H3
InChIKeyXOQUXQNEVSDQGL-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.06
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 60753950) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID60753950
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H13BrN2O3/c1-12(4-5-14)10(16)7-13-6-8(11)2-3-9(13)15/h2-3,6,14H,4-5,7H2,1H3
InChIKeyXOQUXQNEVSDQGL-UHFFFAOYSA-N
XLogP0.06
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide (CID 60753950) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is XOQUXQNEVSDQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-12(4-5-14)10(16)7-13-6-8(11)2-3-9(13)15/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 289.13 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 60753950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).