(3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid

C5H5BFNO3 — CID 76528941

IUPAC(3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid
SMILESO=C1N=CC(B(O)O)=CC1F
InChIInChI=1S/C5H5BFNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,4,10-11H
InChIKeyFUUPDZYMIMRUJE-UHFFFAOYSA-N
MW156.91 g/mol
LogP-1.13
Rot. Bonds1

About (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid

(3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid (PubChem CID 76528941) has the molecular formula C5H5BFNO3 and a molecular weight of 156.91 g/mol. Its IUPAC name is (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid.

Molecular Properties

Compound Name(3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid
PubChem CID76528941
Molecular FormulaC5H5BFNO3
Molecular Weight156.91 g/mol
Exact Mass157.03
IUPAC Name(3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid
SMILESO=C1N=CC(B(O)O)=CC1F
InChIInChI=1S/C5H5BFNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,4,10-11H
InChIKeyFUUPDZYMIMRUJE-UHFFFAOYSA-N
XLogP-1.13
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.91
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
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 (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid?
The IUPAC name of (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid (CID 76528941) is (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid.
What is the SMILES notation for (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid?
The canonical SMILES for (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid is O=C1N=CC(B(O)O)=CC1F.
What is the InChIKey of (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid?
The InChIKey is FUUPDZYMIMRUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BFNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,4,10-11H.
What are the key properties of (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid?
(3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid has a molecular weight of 156.91 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid is sourced from PubChem (CID 76528941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).