3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol

C23H15F2NO — CID 102179946

IUPAC3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3cccc(F)c3)nc(-c3cccc(F)c3)c2)c1
InChIInChI=1S/C23H15F2NO/c24-19-7-1-5-16(10-19)22-13-18(15-4-3-9-21(27)12-15)14-23(26-22)17-6-2-8-20(25)11-17/h1-14,27H
InChIKeyPZYBXYCCUXWSRW-UHFFFAOYSA-N
MW359.38 g/mol
LogP6.07
Rot. Bonds3

About 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol

3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol (PubChem CID 102179946) has the molecular formula C23H15F2NO and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol
PubChem CID102179946
Molecular FormulaC23H15F2NO
Molecular Weight359.38 g/mol
Exact Mass359.11
IUPAC Name3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3cccc(F)c3)nc(-c3cccc(F)c3)c2)c1
InChIInChI=1S/C23H15F2NO/c24-19-7-1-5-16(10-19)22-13-18(15-4-3-9-21(27)12-15)14-23(26-22)17-6-2-8-20(25)11-17/h1-14,27H
InChIKeyPZYBXYCCUXWSRW-UHFFFAOYSA-N
XLogP6.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol?
The IUPAC name of 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol (CID 102179946) is 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol.
What is the SMILES notation for 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol?
The canonical SMILES for 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol is Oc1cccc(-c2cc(-c3cccc(F)c3)nc(-c3cccc(F)c3)c2)c1.
What is the InChIKey of 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol?
The InChIKey is PZYBXYCCUXWSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO/c24-19-7-1-5-16(10-19)22-13-18(15-4-3-9-21(27)12-15)14-23(26-22)17-6-2-8-20(25)11-17/h1-14,27H.
What are the key properties of 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol?
3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol has a molecular weight of 359.38 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol is sourced from PubChem (CID 102179946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).