4-bromopyridine-2,6-dicarboxylic acid

C7H4BrNO4 — CID 15832860

IUPAC4-bromopyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(Br)cc(C(=O)O)n1
InChIInChI=1S/C7H4BrNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyJVCWTTKJXQPITQ-UHFFFAOYSA-N
MW246.02 g/mol
LogP1.24
Rot. Bonds2

About 4-bromopyridine-2,6-dicarboxylic acid

4-bromopyridine-2,6-dicarboxylic acid (PubChem CID 15832860) has the molecular formula C7H4BrNO4 and a molecular weight of 246.02 g/mol. Its IUPAC name is 4-bromopyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-bromopyridine-2,6-dicarboxylic acid
PubChem CID15832860
Molecular FormulaC7H4BrNO4
Molecular Weight246.02 g/mol
Exact Mass244.93
IUPAC Name4-bromopyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(Br)cc(C(=O)O)n1
InChIInChI=1S/C7H4BrNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyJVCWTTKJXQPITQ-UHFFFAOYSA-N
XLogP1.24
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.02
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-bromopyridine-2,6-dicarboxylic acid (CID 15832860) is 4-bromopyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-bromopyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-bromopyridine-2,6-dicarboxylic acid is O=C(O)c1cc(Br)cc(C(=O)O)n1.
What is the InChIKey of 4-bromopyridine-2,6-dicarboxylic acid?
The InChIKey is JVCWTTKJXQPITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13).
What are the key properties of 4-bromopyridine-2,6-dicarboxylic acid?
4-bromopyridine-2,6-dicarboxylic acid has a molecular weight of 246.02 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 15832860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).