2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine

C12H10BNO3 — CID 71279066

IUPAC2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine
SMILESOB1OCc2cc(Oc3ccccn3)ccc21
InChIInChI=1S/C12H10BNO3/c15-13-11-5-4-10(7-9(11)8-16-13)17-12-3-1-2-6-14-12/h1-7,15H,8H2
InChIKeySWXDRLUNPOQAMJ-UHFFFAOYSA-N
MW227.03 g/mol
LogP1.09
Rot. Bonds2

About 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine

2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine (PubChem CID 71279066) has the molecular formula C12H10BNO3 and a molecular weight of 227.03 g/mol. Its IUPAC name is 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine.

Molecular Properties

Compound Name2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine
PubChem CID71279066
Molecular FormulaC12H10BNO3
Molecular Weight227.03 g/mol
Exact Mass227.08
IUPAC Name2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine
SMILESOB1OCc2cc(Oc3ccccn3)ccc21
InChIInChI=1S/C12H10BNO3/c15-13-11-5-4-10(7-9(11)8-16-13)17-12-3-1-2-6-14-12/h1-7,15H,8H2
InChIKeySWXDRLUNPOQAMJ-UHFFFAOYSA-N
XLogP1.09
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.03
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine?
The IUPAC name of 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine (CID 71279066) is 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine.
What is the SMILES notation for 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine?
The canonical SMILES for 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine is OB1OCc2cc(Oc3ccccn3)ccc21.
What is the InChIKey of 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine?
The InChIKey is SWXDRLUNPOQAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BNO3/c15-13-11-5-4-10(7-9(11)8-16-13)17-12-3-1-2-6-14-12/h1-7,15H,8H2.
What are the key properties of 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine?
2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine has a molecular weight of 227.03 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine is sourced from PubChem (CID 71279066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).