2-[(3,5-difluoro-2-pyridinyl)oxy]phenol

C11H7F2NO2 — CID 112676281

IUPAC2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
SMILESOc1ccccc1Oc1ncc(F)cc1F
InChIInChI=1S/C11H7F2NO2/c12-7-5-8(13)11(14-6-7)16-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyNCEFYKLLELCEAC-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.86
Rot. Bonds2

About 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol

2-[(3,5-difluoro-2-pyridinyl)oxy]phenol (PubChem CID 112676281) has the molecular formula C11H7F2NO2 and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
PubChem CID112676281
Molecular FormulaC11H7F2NO2
Molecular Weight223.18 g/mol
Exact Mass223.04
IUPAC Name2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
SMILESOc1ccccc1Oc1ncc(F)cc1F
InChIInChI=1S/C11H7F2NO2/c12-7-5-8(13)11(14-6-7)16-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyNCEFYKLLELCEAC-UHFFFAOYSA-N
XLogP2.86
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol?
The IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol (CID 112676281) is 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol?
The canonical SMILES for 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol is Oc1ccccc1Oc1ncc(F)cc1F.
What is the InChIKey of 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol?
The InChIKey is NCEFYKLLELCEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2/c12-7-5-8(13)11(14-6-7)16-10-4-2-1-3-9(10)15/h1-6,15H.
What are the key properties of 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol?
2-[(3,5-difluoro-2-pyridinyl)oxy]phenol has a molecular weight of 223.18 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 112676281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).