bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane

C16H11BF2N2O2 — CID 90823834

IUPACbis[(2-fluoro-3-pyridinyl)oxy]-phenylborane
SMILESFc1ncccc1OB(Oc1cccnc1F)c1ccccc1
InChIInChI=1S/C16H11BF2N2O2/c18-15-13(8-4-10-20-15)22-17(12-6-2-1-3-7-12)23-14-9-5-11-21-16(14)19/h1-11H
InChIKeyARXCYWRVHJQVFG-UHFFFAOYSA-N
MW312.08 g/mol
LogP2.61
Rot. Bonds5

About bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane

bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane (PubChem CID 90823834) has the molecular formula C16H11BF2N2O2 and a molecular weight of 312.08 g/mol. Its IUPAC name is bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane.

Molecular Properties

Compound Namebis[(2-fluoro-3-pyridinyl)oxy]-phenylborane
PubChem CID90823834
Molecular FormulaC16H11BF2N2O2
Molecular Weight312.08 g/mol
Exact Mass312.09
IUPAC Namebis[(2-fluoro-3-pyridinyl)oxy]-phenylborane
SMILESFc1ncccc1OB(Oc1cccnc1F)c1ccccc1
InChIInChI=1S/C16H11BF2N2O2/c18-15-13(8-4-10-20-15)22-17(12-6-2-1-3-7-12)23-14-9-5-11-21-16(14)19/h1-11H
InChIKeyARXCYWRVHJQVFG-UHFFFAOYSA-N
XLogP2.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane?
The IUPAC name of bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane (CID 90823834) is bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane.
What is the SMILES notation for bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane?
The canonical SMILES for bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane is Fc1ncccc1OB(Oc1cccnc1F)c1ccccc1.
What is the InChIKey of bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane?
The InChIKey is ARXCYWRVHJQVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BF2N2O2/c18-15-13(8-4-10-20-15)22-17(12-6-2-1-3-7-12)23-14-9-5-11-21-16(14)19/h1-11H.
What are the key properties of bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane?
bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane has a molecular weight of 312.08 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-fluoro-3-pyridinyl)oxy]-phenylborane is sourced from PubChem (CID 90823834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).