1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid

C11H7BrN2O3 — CID 178159594

IUPAC1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2cncc(Br)c2)c1
InChIInChI=1S/C11H7BrN2O3/c12-8-3-9(5-13-4-8)14-6-7(11(16)17)1-2-10(14)15/h1-6H,(H,16,17)
InChIKeyCMZXYTTZMNQMCY-UHFFFAOYSA-N
MW295.09 g/mol
LogP1.69
Rot. Bonds2

About 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid

1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 178159594) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid
PubChem CID178159594
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2cncc(Br)c2)c1
InChIInChI=1S/C11H7BrN2O3/c12-8-3-9(5-13-4-8)14-6-7(11(16)17)1-2-10(14)15/h1-6H,(H,16,17)
InChIKeyCMZXYTTZMNQMCY-UHFFFAOYSA-N
XLogP1.69
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid (CID 178159594) is 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(-c2cncc(Br)c2)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is CMZXYTTZMNQMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-8-3-9(5-13-4-8)14-6-7(11(16)17)1-2-10(14)15/h1-6H,(H,16,17).
What are the key properties of 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid?
1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 295.09 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 178159594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).