2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

C11H12BrF3N2O2 — CID 86833585

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCN(CCC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H12BrF3N2O2/c1-16(5-4-11(13,14)15)10(19)7-17-6-8(12)2-3-9(17)18/h2-3,6H,4-5,7H2,1H3
InChIKeyOEDPUHPFDGYFJC-UHFFFAOYSA-N
MW341.13 g/mol
LogP2.02
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 86833585) has the molecular formula C11H12BrF3N2O2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID86833585
Molecular FormulaC11H12BrF3N2O2
Molecular Weight341.13 g/mol
Exact Mass340.00
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCN(CCC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H12BrF3N2O2/c1-16(5-4-11(13,14)15)10(19)7-17-6-8(12)2-3-9(17)18/h2-3,6H,4-5,7H2,1H3
InChIKeyOEDPUHPFDGYFJC-UHFFFAOYSA-N
XLogP2.02
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
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-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (CID 86833585) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is CN(CCC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is OEDPUHPFDGYFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O2/c1-16(5-4-11(13,14)15)10(19)7-17-6-8(12)2-3-9(17)18/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 341.13 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 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-methyl-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 86833585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).