(5-chloro-6-fluoro-3-pyridinyl)boronic acid

C5H4BClFNO2 — CID 71305234

IUPAC(5-chloro-6-fluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1cnc(F)c(Cl)c1
InChIInChI=1S/C5H4BClFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H
InChIKeyYYFMQBOVWLWZQO-UHFFFAOYSA-N
MW175.35 g/mol
LogP-0.45
Rot. Bonds1

About (5-chloro-6-fluoro-3-pyridinyl)boronic acid

(5-chloro-6-fluoro-3-pyridinyl)boronic acid (PubChem CID 71305234) has the molecular formula C5H4BClFNO2 and a molecular weight of 175.35 g/mol. Its IUPAC name is (5-chloro-6-fluoro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-chloro-6-fluoro-3-pyridinyl)boronic acid
PubChem CID71305234
Molecular FormulaC5H4BClFNO2
Molecular Weight175.35 g/mol
Exact Mass175.00
IUPAC Name(5-chloro-6-fluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1cnc(F)c(Cl)c1
InChIInChI=1S/C5H4BClFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H
InChIKeyYYFMQBOVWLWZQO-UHFFFAOYSA-N
XLogP-0.45
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-fluoro-3-pyridinyl)boronic acid?
The IUPAC name of (5-chloro-6-fluoro-3-pyridinyl)boronic acid (CID 71305234) is (5-chloro-6-fluoro-3-pyridinyl)boronic acid.
What is the SMILES notation for (5-chloro-6-fluoro-3-pyridinyl)boronic acid?
The canonical SMILES for (5-chloro-6-fluoro-3-pyridinyl)boronic acid is OB(O)c1cnc(F)c(Cl)c1.
What is the InChIKey of (5-chloro-6-fluoro-3-pyridinyl)boronic acid?
The InChIKey is YYFMQBOVWLWZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BClFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H.
What are the key properties of (5-chloro-6-fluoro-3-pyridinyl)boronic acid?
(5-chloro-6-fluoro-3-pyridinyl)boronic acid has a molecular weight of 175.35 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-fluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 71305234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).