3,5-dibromopyridine-4-carboxylic acid

C6H3Br2NO2 — CID 15322745

IUPAC3,5-dibromopyridine-4-carboxylic acid
SMILESO=C(O)c1c(Br)cncc1Br
InChIInChI=1S/C6H3Br2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
InChIKeyLRKLXFGPVUZEDK-UHFFFAOYSA-N
MW280.90 g/mol
LogP2.30
Rot. Bonds1

About 3,5-dibromopyridine-4-carboxylic acid

3,5-dibromopyridine-4-carboxylic acid (PubChem CID 15322745) has the molecular formula C6H3Br2NO2 and a molecular weight of 280.90 g/mol. Its IUPAC name is 3,5-dibromopyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dibromopyridine-4-carboxylic acid
PubChem CID15322745
Molecular FormulaC6H3Br2NO2
Molecular Weight280.90 g/mol
Exact Mass278.85
IUPAC Name3,5-dibromopyridine-4-carboxylic acid
SMILESO=C(O)c1c(Br)cncc1Br
InChIInChI=1S/C6H3Br2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
InChIKeyLRKLXFGPVUZEDK-UHFFFAOYSA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.90
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromopyridine-4-carboxylic acid?
The IUPAC name of 3,5-dibromopyridine-4-carboxylic acid (CID 15322745) is 3,5-dibromopyridine-4-carboxylic acid.
What is the SMILES notation for 3,5-dibromopyridine-4-carboxylic acid?
The canonical SMILES for 3,5-dibromopyridine-4-carboxylic acid is O=C(O)c1c(Br)cncc1Br.
What is the InChIKey of 3,5-dibromopyridine-4-carboxylic acid?
The InChIKey is LRKLXFGPVUZEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11).
What are the key properties of 3,5-dibromopyridine-4-carboxylic acid?
3,5-dibromopyridine-4-carboxylic acid has a molecular weight of 280.90 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromopyridine-4-carboxylic acid is sourced from PubChem (CID 15322745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).