(2-chloro-3-pyridinyl)boronic acid

C5H5BClNO2 — CID 2762704

IUPAC(2-chloro-3-pyridinyl)boronic acid
SMILESOB(O)c1cccnc1Cl
InChIInChI=1S/C5H5BClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H
InChIKeyVRDAOVQZVXYRNH-UHFFFAOYSA-N
MW157.37 g/mol
LogP-0.59
Rot. Bonds1

About (2-chloro-3-pyridinyl)boronic acid

(2-chloro-3-pyridinyl)boronic acid (PubChem CID 2762704) has the molecular formula C5H5BClNO2 and a molecular weight of 157.37 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)boronic acid
PubChem CID2762704
Molecular FormulaC5H5BClNO2
Molecular Weight157.37 g/mol
Exact Mass157.01
IUPAC Name(2-chloro-3-pyridinyl)boronic acid
SMILESOB(O)c1cccnc1Cl
InChIInChI=1S/C5H5BClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H
InChIKeyVRDAOVQZVXYRNH-UHFFFAOYSA-N
XLogP-0.59
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.37
LogP ≤ 5-0.59
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 (2-chloro-3-pyridinyl)boronic acid?
The IUPAC name of (2-chloro-3-pyridinyl)boronic acid (CID 2762704) is (2-chloro-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-chloro-3-pyridinyl)boronic acid?
The canonical SMILES for (2-chloro-3-pyridinyl)boronic acid is OB(O)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)boronic acid?
The InChIKey is VRDAOVQZVXYRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H.
What are the key properties of (2-chloro-3-pyridinyl)boronic acid?
(2-chloro-3-pyridinyl)boronic acid has a molecular weight of 157.37 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)boronic acid is sourced from PubChem (CID 2762704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).