(5-fluoro-3-pyridinyl)boronic acid;hydrochloride

C5H6BClFNO2 — CID 155821099

IUPAC(5-fluoro-3-pyridinyl)boronic acid;hydrochloride
SMILESCl.OB(O)c1cncc(F)c1
InChIInChI=1S/C5H5BFNO2.ClH/c7-5-1-4(6(9)10)2-8-3-5;/h1-3,9-10H;1H
InChIKeyRFINVPAMJCWTJU-UHFFFAOYSA-N
MW177.37 g/mol
LogP-0.68
Rot. Bonds1

About (5-fluoro-3-pyridinyl)boronic acid;hydrochloride

(5-fluoro-3-pyridinyl)boronic acid;hydrochloride (PubChem CID 155821099) has the molecular formula C5H6BClFNO2 and a molecular weight of 177.37 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)boronic acid;hydrochloride.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)boronic acid;hydrochloride
PubChem CID155821099
Molecular FormulaC5H6BClFNO2
Molecular Weight177.37 g/mol
Exact Mass177.02
IUPAC Name(5-fluoro-3-pyridinyl)boronic acid;hydrochloride
SMILESCl.OB(O)c1cncc(F)c1
InChIInChI=1S/C5H5BFNO2.ClH/c7-5-1-4(6(9)10)2-8-3-5;/h1-3,9-10H;1H
InChIKeyRFINVPAMJCWTJU-UHFFFAOYSA-N
XLogP-0.68
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.37
LogP ≤ 5-0.68
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 (5-fluoro-3-pyridinyl)boronic acid;hydrochloride?
The IUPAC name of (5-fluoro-3-pyridinyl)boronic acid;hydrochloride (CID 155821099) is (5-fluoro-3-pyridinyl)boronic acid;hydrochloride.
What is the SMILES notation for (5-fluoro-3-pyridinyl)boronic acid;hydrochloride?
The canonical SMILES for (5-fluoro-3-pyridinyl)boronic acid;hydrochloride is Cl.OB(O)c1cncc(F)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)boronic acid;hydrochloride?
The InChIKey is RFINVPAMJCWTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BFNO2.ClH/c7-5-1-4(6(9)10)2-8-3-5;/h1-3,9-10H;1H.
What are the key properties of (5-fluoro-3-pyridinyl)boronic acid;hydrochloride?
(5-fluoro-3-pyridinyl)boronic acid;hydrochloride has a molecular weight of 177.37 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)boronic acid;hydrochloride is sourced from PubChem (CID 155821099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).