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

C5H6BFN2O2 — CID 91882688

IUPAC(6-amino-5-fluoro-3-pyridinyl)boronic acid
SMILESNc1ncc(B(O)O)cc1F
InChIInChI=1S/C5H6BFN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H,(H2,8,9)
InChIKeyZMESWWDSTPRWQM-UHFFFAOYSA-N
MW155.93 g/mol
LogP-1.52
Rot. Bonds1

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

(6-amino-5-fluoro-3-pyridinyl)boronic acid (PubChem CID 91882688) has the molecular formula C5H6BFN2O2 and a molecular weight of 155.93 g/mol. Its IUPAC name is (6-amino-5-fluoro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-amino-5-fluoro-3-pyridinyl)boronic acid
PubChem CID91882688
Molecular FormulaC5H6BFN2O2
Molecular Weight155.93 g/mol
Exact Mass156.05
IUPAC Name(6-amino-5-fluoro-3-pyridinyl)boronic acid
SMILESNc1ncc(B(O)O)cc1F
InChIInChI=1S/C5H6BFN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H,(H2,8,9)
InChIKeyZMESWWDSTPRWQM-UHFFFAOYSA-N
XLogP-1.52
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.93
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
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 (6-amino-5-fluoro-3-pyridinyl)boronic acid?
The IUPAC name of (6-amino-5-fluoro-3-pyridinyl)boronic acid (CID 91882688) is (6-amino-5-fluoro-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-amino-5-fluoro-3-pyridinyl)boronic acid?
The canonical SMILES for (6-amino-5-fluoro-3-pyridinyl)boronic acid is Nc1ncc(B(O)O)cc1F.
What is the InChIKey of (6-amino-5-fluoro-3-pyridinyl)boronic acid?
The InChIKey is ZMESWWDSTPRWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BFN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H,(H2,8,9).
What are the key properties of (6-amino-5-fluoro-3-pyridinyl)boronic acid?
(6-amino-5-fluoro-3-pyridinyl)boronic acid has a molecular weight of 155.93 g/mol, XLogP of -1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-fluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 91882688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).