(3-fluoro-2-pyridinyl)oxyboronic acid

C5H5BFNO3 — CID 142794049

IUPAC(3-fluoro-2-pyridinyl)oxyboronic acid
SMILESOB(O)Oc1ncccc1F
InChIInChI=1S/C5H5BFNO3/c7-4-2-1-3-8-5(4)11-6(9)10/h1-3,9-10H
InChIKeyMQUGOXDTPQGRKQ-UHFFFAOYSA-N
MW156.91 g/mol
LogP-0.43
Rot. Bonds2

About (3-fluoro-2-pyridinyl)oxyboronic acid

(3-fluoro-2-pyridinyl)oxyboronic acid (PubChem CID 142794049) has the molecular formula C5H5BFNO3 and a molecular weight of 156.91 g/mol. Its IUPAC name is (3-fluoro-2-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(3-fluoro-2-pyridinyl)oxyboronic acid
PubChem CID142794049
Molecular FormulaC5H5BFNO3
Molecular Weight156.91 g/mol
Exact Mass157.03
IUPAC Name(3-fluoro-2-pyridinyl)oxyboronic acid
SMILESOB(O)Oc1ncccc1F
InChIInChI=1S/C5H5BFNO3/c7-4-2-1-3-8-5(4)11-6(9)10/h1-3,9-10H
InChIKeyMQUGOXDTPQGRKQ-UHFFFAOYSA-N
XLogP-0.43
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.91
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pyridinyl)oxyboronic acid?
The IUPAC name of (3-fluoro-2-pyridinyl)oxyboronic acid (CID 142794049) is (3-fluoro-2-pyridinyl)oxyboronic acid.
What is the SMILES notation for (3-fluoro-2-pyridinyl)oxyboronic acid?
The canonical SMILES for (3-fluoro-2-pyridinyl)oxyboronic acid is OB(O)Oc1ncccc1F.
What is the InChIKey of (3-fluoro-2-pyridinyl)oxyboronic acid?
The InChIKey is MQUGOXDTPQGRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BFNO3/c7-4-2-1-3-8-5(4)11-6(9)10/h1-3,9-10H.
What are the key properties of (3-fluoro-2-pyridinyl)oxyboronic acid?
(3-fluoro-2-pyridinyl)oxyboronic acid has a molecular weight of 156.91 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyridinyl)oxyboronic acid is sourced from PubChem (CID 142794049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).