5-borono-2-iodopyridine-4-carboxylic acid

C6H5BINO4 — CID 91882806

IUPAC5-borono-2-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(I)ncc1B(O)O
InChIInChI=1S/C6H5BINO4/c8-5-1-3(6(10)11)4(2-9-5)7(12)13/h1-2,12-13H,(H,10,11)
InChIKeyUTDSEWUBBNODSD-UHFFFAOYSA-N
MW292.83 g/mol
LogP-0.94
Rot. Bonds2

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

5-borono-2-iodopyridine-4-carboxylic acid (PubChem CID 91882806) has the molecular formula C6H5BINO4 and a molecular weight of 292.83 g/mol. Its IUPAC name is 5-borono-2-iodopyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-borono-2-iodopyridine-4-carboxylic acid
PubChem CID91882806
Molecular FormulaC6H5BINO4
Molecular Weight292.83 g/mol
Exact Mass292.94
IUPAC Name5-borono-2-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(I)ncc1B(O)O
InChIInChI=1S/C6H5BINO4/c8-5-1-3(6(10)11)4(2-9-5)7(12)13/h1-2,12-13H,(H,10,11)
InChIKeyUTDSEWUBBNODSD-UHFFFAOYSA-N
XLogP-0.94
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-borono-2-iodopyridine-4-carboxylic acid?
The IUPAC name of 5-borono-2-iodopyridine-4-carboxylic acid (CID 91882806) is 5-borono-2-iodopyridine-4-carboxylic acid.
What is the SMILES notation for 5-borono-2-iodopyridine-4-carboxylic acid?
The canonical SMILES for 5-borono-2-iodopyridine-4-carboxylic acid is O=C(O)c1cc(I)ncc1B(O)O.
What is the InChIKey of 5-borono-2-iodopyridine-4-carboxylic acid?
The InChIKey is UTDSEWUBBNODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BINO4/c8-5-1-3(6(10)11)4(2-9-5)7(12)13/h1-2,12-13H,(H,10,11).
What are the key properties of 5-borono-2-iodopyridine-4-carboxylic acid?
5-borono-2-iodopyridine-4-carboxylic acid has a molecular weight of 292.83 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-borono-2-iodopyridine-4-carboxylic acid is sourced from PubChem (CID 91882806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).