(4-oxo-1H-pyridin-3-yl)boronic acid

C5H6BNO3 — CID 55262736

IUPAC(4-oxo-1H-pyridin-3-yl)boronic acid
SMILESO=c1cc[nH]cc1B(O)O
InChIInChI=1S/C5H6BNO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3,9-10H,(H,7,8)
InChIKeyBFDQSAOKDNUDIM-UHFFFAOYSA-N
MW138.92 g/mol
LogP-1.95
Rot. Bonds1

About (4-oxo-1H-pyridin-3-yl)boronic acid

(4-oxo-1H-pyridin-3-yl)boronic acid (PubChem CID 55262736) has the molecular formula C5H6BNO3 and a molecular weight of 138.92 g/mol. Its IUPAC name is (4-oxo-1H-pyridin-3-yl)boronic acid.

Molecular Properties

Compound Name(4-oxo-1H-pyridin-3-yl)boronic acid
PubChem CID55262736
Molecular FormulaC5H6BNO3
Molecular Weight138.92 g/mol
Exact Mass139.04
IUPAC Name(4-oxo-1H-pyridin-3-yl)boronic acid
SMILESO=c1cc[nH]cc1B(O)O
InChIInChI=1S/C5H6BNO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3,9-10H,(H,7,8)
InChIKeyBFDQSAOKDNUDIM-UHFFFAOYSA-N
XLogP-1.95
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.92
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-1H-pyridin-3-yl)boronic acid?
The IUPAC name of (4-oxo-1H-pyridin-3-yl)boronic acid (CID 55262736) is (4-oxo-1H-pyridin-3-yl)boronic acid.
What is the SMILES notation for (4-oxo-1H-pyridin-3-yl)boronic acid?
The canonical SMILES for (4-oxo-1H-pyridin-3-yl)boronic acid is O=c1cc[nH]cc1B(O)O.
What is the InChIKey of (4-oxo-1H-pyridin-3-yl)boronic acid?
The InChIKey is BFDQSAOKDNUDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BNO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3,9-10H,(H,7,8).
What are the key properties of (4-oxo-1H-pyridin-3-yl)boronic acid?
(4-oxo-1H-pyridin-3-yl)boronic acid has a molecular weight of 138.92 g/mol, XLogP of -1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1H-pyridin-3-yl)boronic acid is sourced from PubChem (CID 55262736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).