2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine

C11H8BNO2 — CID 162412034

IUPAC2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine
SMILESc1ccc(B2Oc3cccnc3O2)cc1
InChIInChI=1S/C11H8BNO2/c1-2-5-9(6-3-1)12-14-10-7-4-8-13-11(10)15-12/h1-8H
InChIKeyVUIDSPXLHMFTPW-UHFFFAOYSA-N
MW197.00 g/mol
LogP1.25
Rot. Bonds1

About 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine

2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine (PubChem CID 162412034) has the molecular formula C11H8BNO2 and a molecular weight of 197.00 g/mol. Its IUPAC name is 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine
PubChem CID162412034
Molecular FormulaC11H8BNO2
Molecular Weight197.00 g/mol
Exact Mass197.06
IUPAC Name2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine
SMILESc1ccc(B2Oc3cccnc3O2)cc1
InChIInChI=1S/C11H8BNO2/c1-2-5-9(6-3-1)12-14-10-7-4-8-13-11(10)15-12/h1-8H
InChIKeyVUIDSPXLHMFTPW-UHFFFAOYSA-N
XLogP1.25
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.00
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 2,3-bis[(trimethylsilyl)oxy]-
CID 129767683
Sodium pyridin-3-olate
CID 2723769
Potassium 3-pyridinolate
CID 23663322
CID 57115035
CID 57115035
4h-Quinolizinium-7-olate
CID 129672216
Silver pyridin-3-olate
CID 12538044
6-Fluoropyridin-3-ylboric acid
CID 67202011
(2-Fluoro-3-pyridinyl)oxy-phenylborinic acid
CID 69083171
Bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane
CID 90823834
Pyridin-3-yl hypofluorite
CID 101442326
(6-Fluoro-3-pyridinyl)oxy-oxoborane
CID 140092197
(2-Fluoro-3-pyridinyl)oxyboronic acid
CID 140132405

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine?
The IUPAC name of 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine (CID 162412034) is 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine.
What is the SMILES notation for 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine?
The canonical SMILES for 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine is c1ccc(B2Oc3cccnc3O2)cc1.
What is the InChIKey of 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine?
The InChIKey is VUIDSPXLHMFTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BNO2/c1-2-5-9(6-3-1)12-14-10-7-4-8-13-11(10)15-12/h1-8H.
What are the key properties of 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine?
2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine has a molecular weight of 197.00 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,3,2]dioxaborolo[4,5-b]pyridine is sourced from PubChem (CID 162412034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).