5-borono-4-oxo-1H-pyridine-2-carboxylic acid

C6H6BNO5 — CID 91882851

IUPAC5-borono-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(B(O)O)c[nH]1
InChIInChI=1S/C6H6BNO5/c9-5-1-4(6(10)11)8-2-3(5)7(12)13/h1-2,12-13H,(H,8,9)(H,10,11)
InChIKeyGPBIXSXXJAGENL-UHFFFAOYSA-N
MW182.93 g/mol
LogP-2.25
Rot. Bonds2

About 5-borono-4-oxo-1H-pyridine-2-carboxylic acid

5-borono-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 91882851) has the molecular formula C6H6BNO5 and a molecular weight of 182.93 g/mol. Its IUPAC name is 5-borono-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-borono-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID91882851
Molecular FormulaC6H6BNO5
Molecular Weight182.93 g/mol
Exact Mass183.03
IUPAC Name5-borono-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(B(O)O)c[nH]1
InChIInChI=1S/C6H6BNO5/c9-5-1-4(6(10)11)8-2-3(5)7(12)13/h1-2,12-13H,(H,8,9)(H,10,11)
InChIKeyGPBIXSXXJAGENL-UHFFFAOYSA-N
XLogP-2.25
TPSA110.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.93
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(6-amino-4-oxo-1H-pyridin-3-yl)boronic acid
CID 91882852
5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid
CID 74892714
4-arsanyl-1H-pyrrole-2-carboxylic acid
CID 173183216
4-chloro-1H-pyrrole-2-carboxylic acid
CID 7130842
CID 89332514
CID 89332514
4-ethyl-1H-pyrrole-2-carboxylic acid
CID 84648388
4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 67231761
4-methylsulfanyl-1H-pyrrole-2-carboxylic acid
CID 14684837
4-[(dimethylamino)methyl]-1H-pyrrole-2-carboxylic acid
CID 66955018
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
4-(propylamino)-1H-pyrrole-2-carboxylic acid
CID 54445671
5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
CID 82017868

Frequently Asked Questions

What is the IUPAC name of 5-borono-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-borono-4-oxo-1H-pyridine-2-carboxylic acid (CID 91882851) is 5-borono-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-borono-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-borono-4-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1cc(=O)c(B(O)O)c[nH]1.
What is the InChIKey of 5-borono-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is GPBIXSXXJAGENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BNO5/c9-5-1-4(6(10)11)8-2-3(5)7(12)13/h1-2,12-13H,(H,8,9)(H,10,11).
What are the key properties of 5-borono-4-oxo-1H-pyridine-2-carboxylic acid?
5-borono-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 182.93 g/mol, XLogP of -2.25, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-borono-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 91882851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).