2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid

C7H5BrFNO3 — CID 81296547

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cc(Br)ccc1=O
InChIInChI=1S/C7H5BrFNO3/c8-4-1-2-5(11)10(3-4)6(9)7(12)13/h1-3,6H,(H,12,13)
InChIKeyLZLFOYPSDVUPLF-UHFFFAOYSA-N
MW250.02 g/mol
LogP1.16
Rot. Bonds2

About 2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid

2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid (PubChem CID 81296547) has the molecular formula C7H5BrFNO3 and a molecular weight of 250.02 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid
PubChem CID81296547
Molecular FormulaC7H5BrFNO3
Molecular Weight250.02 g/mol
Exact Mass248.94
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cc(Br)ccc1=O
InChIInChI=1S/C7H5BrFNO3/c8-4-1-2-5(11)10(3-4)6(9)7(12)13/h1-3,6H,(H,12,13)
InChIKeyLZLFOYPSDVUPLF-UHFFFAOYSA-N
XLogP1.16
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.02
LogP ≤ 51.16
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)-2-fluoroacetic acid?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid (CID 81296547) is 2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid is O=C(O)C(F)n1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid?
The InChIKey is LZLFOYPSDVUPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO3/c8-4-1-2-5(11)10(3-4)6(9)7(12)13/h1-3,6H,(H,12,13).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid?
2-(5-bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid has a molecular weight of 250.02 g/mol, XLogP of 1.16, 2 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)-2-fluoroacetic acid is sourced from PubChem (CID 81296547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).