3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid

C10H12BrNO3 — CID 79023892

IUPAC3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C10H12BrNO3/c1-10(2,9(14)15)6-12-5-7(11)3-4-8(12)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyYNNWCIDSOGNNCR-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.72
Rot. Bonds3

About 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid

3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid (PubChem CID 79023892) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
PubChem CID79023892
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C10H12BrNO3/c1-10(2,9(14)15)6-12-5-7(11)3-4-8(12)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyYNNWCIDSOGNNCR-UHFFFAOYSA-N
XLogP1.72
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid (CID 79023892) is 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid is CC(C)(Cn1cc(Br)ccc1=O)C(=O)O.
What is the InChIKey of 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
The InChIKey is YNNWCIDSOGNNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-10(2,9(14)15)6-12-5-7(11)3-4-8(12)13/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid has a molecular weight of 274.11 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79023892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).