2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid

C8H8BrNO3 — CID 118877913

IUPAC2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid
SMILESCC(C(=O)O)n1ccc(Br)cc1=O
InChIInChI=1S/C8H8BrNO3/c1-5(8(12)13)10-3-2-6(9)4-7(10)11/h2-5H,1H3,(H,12,13)
InChIKeyBEZMIKMALWOHLD-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.26
Rot. Bonds2

About 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid

2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 118877913) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid
PubChem CID118877913
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid
SMILESCC(C(=O)O)n1ccc(Br)cc1=O
InChIInChI=1S/C8H8BrNO3/c1-5(8(12)13)10-3-2-6(9)4-7(10)11/h2-5H,1H3,(H,12,13)
InChIKeyBEZMIKMALWOHLD-UHFFFAOYSA-N
XLogP1.26
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid (CID 118877913) is 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid is CC(C(=O)O)n1ccc(Br)cc1=O.
What is the InChIKey of 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is BEZMIKMALWOHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-5(8(12)13)10-3-2-6(9)4-7(10)11/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid?
2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 246.06 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 118877913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).