(5-borono-2,6-difluoro-3-pyridinyl)boronic acid

C5H5B2F2NO4 — CID 163276200

IUPAC(5-borono-2,6-difluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1cc(B(O)O)c(F)nc1F
InChIInChI=1S/C5H5B2F2NO4/c8-4-2(6(11)12)1-3(7(13)14)5(9)10-4/h1,11-14H
InChIKeyVDRYZUAPENAZML-UHFFFAOYSA-N
MW202.72 g/mol
LogP-3.28
Rot. Bonds2

About (5-borono-2,6-difluoro-3-pyridinyl)boronic acid

(5-borono-2,6-difluoro-3-pyridinyl)boronic acid (PubChem CID 163276200) has the molecular formula C5H5B2F2NO4 and a molecular weight of 202.72 g/mol. Its IUPAC name is (5-borono-2,6-difluoro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-borono-2,6-difluoro-3-pyridinyl)boronic acid
PubChem CID163276200
Molecular FormulaC5H5B2F2NO4
Molecular Weight202.72 g/mol
Exact Mass203.04
IUPAC Name(5-borono-2,6-difluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1cc(B(O)O)c(F)nc1F
InChIInChI=1S/C5H5B2F2NO4/c8-4-2(6(11)12)1-3(7(13)14)5(9)10-4/h1,11-14H
InChIKeyVDRYZUAPENAZML-UHFFFAOYSA-N
XLogP-3.28
TPSA93.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 5-3.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-borono-2,6-difluoro-3-pyridinyl)boronic acid?
The IUPAC name of (5-borono-2,6-difluoro-3-pyridinyl)boronic acid (CID 163276200) is (5-borono-2,6-difluoro-3-pyridinyl)boronic acid.
What is the SMILES notation for (5-borono-2,6-difluoro-3-pyridinyl)boronic acid?
The canonical SMILES for (5-borono-2,6-difluoro-3-pyridinyl)boronic acid is OB(O)c1cc(B(O)O)c(F)nc1F.
What is the InChIKey of (5-borono-2,6-difluoro-3-pyridinyl)boronic acid?
The InChIKey is VDRYZUAPENAZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5B2F2NO4/c8-4-2(6(11)12)1-3(7(13)14)5(9)10-4/h1,11-14H.
What are the key properties of (5-borono-2,6-difluoro-3-pyridinyl)boronic acid?
(5-borono-2,6-difluoro-3-pyridinyl)boronic acid has a molecular weight of 202.72 g/mol, XLogP of -3.28, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-borono-2,6-difluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 163276200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).