(5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid

C5H5BFNO3 — CID 57415706

IUPAC(5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid
SMILESO=c1[nH]cc(B(O)O)cc1F
InChIInChI=1S/C5H5BFNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,10-11H,(H,8,9)
InChIKeyRNRSXDBJJSBHFY-UHFFFAOYSA-N
MW156.91 g/mol
LogP-1.81
Rot. Bonds1

About (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid

(5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid (PubChem CID 57415706) has the molecular formula C5H5BFNO3 and a molecular weight of 156.91 g/mol. Its IUPAC name is (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid.

Molecular Properties

Compound Name(5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid
PubChem CID57415706
Molecular FormulaC5H5BFNO3
Molecular Weight156.91 g/mol
Exact Mass157.03
IUPAC Name(5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid
SMILESO=c1[nH]cc(B(O)O)cc1F
InChIInChI=1S/C5H5BFNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,10-11H,(H,8,9)
InChIKeyRNRSXDBJJSBHFY-UHFFFAOYSA-N
XLogP-1.81
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.91
LogP ≤ 5-1.81
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 (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid?
The IUPAC name of (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid (CID 57415706) is (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid.
What is the SMILES notation for (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid?
The canonical SMILES for (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid is O=c1[nH]cc(B(O)O)cc1F.
What is the InChIKey of (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid?
The InChIKey is RNRSXDBJJSBHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BFNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,10-11H,(H,8,9).
What are the key properties of (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid?
(5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid has a molecular weight of 156.91 g/mol, XLogP of -1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid is sourced from PubChem (CID 57415706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).