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

C17H10F3NO — CID 122186025

IUPAC2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H10F3NO/c18-12-3-1-10(2-4-12)13-5-6-21-9-14(13)11-7-15(19)17(22)16(20)8-11/h1-9,22H
InChIKeyWEXZHJRBQNKEKT-UHFFFAOYSA-N
MW301.27 g/mol
LogP4.54
Rot. Bonds2

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

2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol (PubChem CID 122186025) has the molecular formula C17H10F3NO and a molecular weight of 301.27 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol
PubChem CID122186025
Molecular FormulaC17H10F3NO
Molecular Weight301.27 g/mol
Exact Mass301.07
IUPAC Name2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H10F3NO/c18-12-3-1-10(2-4-12)13-5-6-21-9-14(13)11-7-15(19)17(22)16(20)8-11/h1-9,22H
InChIKeyWEXZHJRBQNKEKT-UHFFFAOYSA-N
XLogP4.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol (CID 122186025) is 2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol is Oc1c(F)cc(-c2cnccc2-c2ccc(F)cc2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol?
The InChIKey is WEXZHJRBQNKEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO/c18-12-3-1-10(2-4-12)13-5-6-21-9-14(13)11-7-15(19)17(22)16(20)8-11/h1-9,22H.
What are the key properties of 2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol?
2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol has a molecular weight of 301.27 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 122186025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).