4-[(5-bromo-2-pyridinyl)oxy]phenol

C11H8BrNO2 — CID 12940619

IUPAC4-[(5-bromo-2-pyridinyl)oxy]phenol
SMILESOc1ccc(Oc2ccc(Br)cn2)cc1
InChIInChI=1S/C11H8BrNO2/c12-8-1-6-11(13-7-8)15-10-4-2-9(14)3-5-10/h1-7,14H
InChIKeyITZCGYJQNYTOIP-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.34
Rot. Bonds2

About 4-[(5-bromo-2-pyridinyl)oxy]phenol

4-[(5-bromo-2-pyridinyl)oxy]phenol (PubChem CID 12940619) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)oxy]phenol
PubChem CID12940619
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name4-[(5-bromo-2-pyridinyl)oxy]phenol
SMILESOc1ccc(Oc2ccc(Br)cn2)cc1
InChIInChI=1S/C11H8BrNO2/c12-8-1-6-11(13-7-8)15-10-4-2-9(14)3-5-10/h1-7,14H
InChIKeyITZCGYJQNYTOIP-UHFFFAOYSA-N
XLogP3.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)oxy]phenol?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)oxy]phenol (CID 12940619) is 4-[(5-bromo-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)oxy]phenol?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)oxy]phenol is Oc1ccc(Oc2ccc(Br)cn2)cc1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)oxy]phenol?
The InChIKey is ITZCGYJQNYTOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-8-1-6-11(13-7-8)15-10-4-2-9(14)3-5-10/h1-7,14H.
What are the key properties of 4-[(5-bromo-2-pyridinyl)oxy]phenol?
4-[(5-bromo-2-pyridinyl)oxy]phenol has a molecular weight of 266.09 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 12940619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).