2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid

C10H12BrNO3 — CID 82146642

IUPAC2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)n1cc(Br)c(C)cc1=O
InChIInChI=1S/C10H12BrNO3/c1-3-8(10(14)15)12-5-7(11)6(2)4-9(12)13/h4-5,8H,3H2,1-2H3,(H,14,15)
InChIKeyRUFMPHAJJRKQSQ-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.95
Rot. Bonds3

About 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid

2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid (PubChem CID 82146642) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid
PubChem CID82146642
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)n1cc(Br)c(C)cc1=O
InChIInChI=1S/C10H12BrNO3/c1-3-8(10(14)15)12-5-7(11)6(2)4-9(12)13/h4-5,8H,3H2,1-2H3,(H,14,15)
InChIKeyRUFMPHAJJRKQSQ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid (CID 82146642) is 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid is CCC(C(=O)O)n1cc(Br)c(C)cc1=O.
What is the InChIKey of 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid?
The InChIKey is RUFMPHAJJRKQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-3-8(10(14)15)12-5-7(11)6(2)4-9(12)13/h4-5,8H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid?
2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid has a molecular weight of 274.11 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 82146642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).