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

C10H13BrN2O3 — CID 80501697

IUPAC3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1cc(N)cc(Br)c1=O)C(=O)O
InChIInChI=1S/C10H13BrN2O3/c1-10(2,9(15)16)5-13-4-6(12)3-7(11)8(13)14/h3-4H,5,12H2,1-2H3,(H,15,16)
InChIKeyVLMSXMPGVSFUDF-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.30
Rot. Bonds3

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

3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid (PubChem CID 80501697) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
PubChem CID80501697
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1cc(N)cc(Br)c1=O)C(=O)O
InChIInChI=1S/C10H13BrN2O3/c1-10(2,9(15)16)5-13-4-6(12)3-7(11)8(13)14/h3-4H,5,12H2,1-2H3,(H,15,16)
InChIKeyVLMSXMPGVSFUDF-UHFFFAOYSA-N
XLogP1.30
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid (CID 80501697) is 3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid is CC(C)(Cn1cc(N)cc(Br)c1=O)C(=O)O.
What is the InChIKey of 3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
The InChIKey is VLMSXMPGVSFUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-10(2,9(15)16)5-13-4-6(12)3-7(11)8(13)14/h3-4H,5,12H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid has a molecular weight of 289.13 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 80501697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).