2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

C11H13BrF2N2O3 — CID 107482952

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N(CCO)CC(F)F
InChIInChI=1S/C11H13BrF2N2O3/c12-8-1-2-10(18)16(5-8)7-11(19)15(3-4-17)6-9(13)14/h1-2,5,9,17H,3-4,6-7H2
InChIKeyJXYMHWYNXXYAJX-UHFFFAOYSA-N
MW339.14 g/mol
LogP0.70
Rot. Bonds6

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107482952) has the molecular formula C11H13BrF2N2O3 and a molecular weight of 339.14 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107482952
Molecular FormulaC11H13BrF2N2O3
Molecular Weight339.14 g/mol
Exact Mass338.01
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N(CCO)CC(F)F
InChIInChI=1S/C11H13BrF2N2O3/c12-8-1-2-10(18)16(5-8)7-11(19)15(3-4-17)6-9(13)14/h1-2,5,9,17H,3-4,6-7H2
InChIKeyJXYMHWYNXXYAJX-UHFFFAOYSA-N
XLogP0.70
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 50.70
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (CID 107482952) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is O=C(Cn1cc(Br)ccc1=O)N(CCO)CC(F)F.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is JXYMHWYNXXYAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O3/c12-8-1-2-10(18)16(5-8)7-11(19)15(3-4-17)6-9(13)14/h1-2,5,9,17H,3-4,6-7H2.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 339.14 g/mol, XLogP of 0.70, 6 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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107482952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).