5-bromo-2-iodopyridine-4-carboxylic acid

C6H3BrINO2 — CID 131261755

IUPAC5-bromo-2-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(I)ncc1Br
InChIInChI=1S/C6H3BrINO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
InChIKeyKWNSPLBVZQFSII-UHFFFAOYSA-N
MW327.90 g/mol
LogP2.15
Rot. Bonds1

About 5-bromo-2-iodopyridine-4-carboxylic acid

5-bromo-2-iodopyridine-4-carboxylic acid (PubChem CID 131261755) has the molecular formula C6H3BrINO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 5-bromo-2-iodopyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-iodopyridine-4-carboxylic acid
PubChem CID131261755
Molecular FormulaC6H3BrINO2
Molecular Weight327.90 g/mol
Exact Mass326.84
IUPAC Name5-bromo-2-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(I)ncc1Br
InChIInChI=1S/C6H3BrINO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
InChIKeyKWNSPLBVZQFSII-UHFFFAOYSA-N
XLogP2.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodopyridine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-iodopyridine-4-carboxylic acid (CID 131261755) is 5-bromo-2-iodopyridine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-iodopyridine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-iodopyridine-4-carboxylic acid is O=C(O)c1cc(I)ncc1Br.
What is the InChIKey of 5-bromo-2-iodopyridine-4-carboxylic acid?
The InChIKey is KWNSPLBVZQFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrINO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11).
What are the key properties of 5-bromo-2-iodopyridine-4-carboxylic acid?
5-bromo-2-iodopyridine-4-carboxylic acid has a molecular weight of 327.90 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodopyridine-4-carboxylic acid is sourced from PubChem (CID 131261755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).