bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol

C18H14BF2NO2 — CID 69208439

IUPACbis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol
SMILESOC(OB(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C18H14BF2NO2/c20-15-8-4-13(5-9-15)19(14-6-10-16(21)11-7-14)24-18(23)17-3-1-2-12-22-17/h1-12,18,23H
InChIKeyCEJWSZBRWSFHQQ-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.17
Rot. Bonds5

About bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol

bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol (PubChem CID 69208439) has the molecular formula C18H14BF2NO2 and a molecular weight of 325.12 g/mol. Its IUPAC name is bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol.

Molecular Properties

Compound Namebis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol
PubChem CID69208439
Molecular FormulaC18H14BF2NO2
Molecular Weight325.12 g/mol
Exact Mass325.11
IUPAC Namebis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol
SMILESOC(OB(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C18H14BF2NO2/c20-15-8-4-13(5-9-15)19(14-6-10-16(21)11-7-14)24-18(23)17-3-1-2-12-22-17/h1-12,18,23H
InChIKeyCEJWSZBRWSFHQQ-UHFFFAOYSA-N
XLogP2.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol?
The IUPAC name of bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol (CID 69208439) is bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol.
What is the SMILES notation for bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol?
The canonical SMILES for bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol is OC(OB(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol?
The InChIKey is CEJWSZBRWSFHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BF2NO2/c20-15-8-4-13(5-9-15)19(14-6-10-16(21)11-7-14)24-18(23)17-3-1-2-12-22-17/h1-12,18,23H.
What are the key properties of bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol?
bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol has a molecular weight of 325.12 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol is sourced from PubChem (CID 69208439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).