(2,5-dichloro-3-pyridinyl)boronic acid

C5H4BCl2NO2 — CID 22135190

IUPAC(2,5-dichloro-3-pyridinyl)boronic acid
SMILESOB(O)c1cc(Cl)cnc1Cl
InChIInChI=1S/C5H4BCl2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H
InChIKeyIISUHTJFLBUMKT-UHFFFAOYSA-N
MW191.81 g/mol
LogP0.07
Rot. Bonds1

About (2,5-dichloro-3-pyridinyl)boronic acid

(2,5-dichloro-3-pyridinyl)boronic acid (PubChem CID 22135190) has the molecular formula C5H4BCl2NO2 and a molecular weight of 191.81 g/mol. Its IUPAC name is (2,5-dichloro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2,5-dichloro-3-pyridinyl)boronic acid
PubChem CID22135190
Molecular FormulaC5H4BCl2NO2
Molecular Weight191.81 g/mol
Exact Mass190.97
IUPAC Name(2,5-dichloro-3-pyridinyl)boronic acid
SMILESOB(O)c1cc(Cl)cnc1Cl
InChIInChI=1S/C5H4BCl2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H
InChIKeyIISUHTJFLBUMKT-UHFFFAOYSA-N
XLogP0.07
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.81
LogP ≤ 50.07
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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Related Compounds

2-Chloropyridine
CID 7977
3-Chloropyridine
CID 12287
2,3-Dichloropyridine
CID 16988
4-Chloropyridine
CID 12288
4-Chloropyridine hydrochloride
CID 81852
2,3-Dichloro-5-(trichloromethyl)pyridine
CID 94647
2-Chloro-1-methylpyridinium iodide
CID 167069
3,5-Dichloropyridine
CID 17153
Pyridine, 2,3,5-trichloro-
CID 27666
2,5-Dichloropyridine
CID 27685
3-Pyridinylboronic acid
CID 2734378
3,5-Dichloropyridin-1-ium-1-olate
CID 276223

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-3-pyridinyl)boronic acid?
The IUPAC name of (2,5-dichloro-3-pyridinyl)boronic acid (CID 22135190) is (2,5-dichloro-3-pyridinyl)boronic acid.
What is the SMILES notation for (2,5-dichloro-3-pyridinyl)boronic acid?
The canonical SMILES for (2,5-dichloro-3-pyridinyl)boronic acid is OB(O)c1cc(Cl)cnc1Cl.
What is the InChIKey of (2,5-dichloro-3-pyridinyl)boronic acid?
The InChIKey is IISUHTJFLBUMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BCl2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H.
What are the key properties of (2,5-dichloro-3-pyridinyl)boronic acid?
(2,5-dichloro-3-pyridinyl)boronic acid has a molecular weight of 191.81 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-3-pyridinyl)boronic acid is sourced from PubChem (CID 22135190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).