2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol

C11H7BrClNO2 — CID 103582945

IUPAC2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
SMILESOc1ccccc1Oc1ncc(Br)cc1Cl
InChIInChI=1S/C11H7BrClNO2/c12-7-5-8(13)11(14-6-7)16-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyOYGJRCKEQCCBEK-UHFFFAOYSA-N
MW300.54 g/mol
LogP4.00
Rot. Bonds2

About 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol

2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol (PubChem CID 103582945) has the molecular formula C11H7BrClNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
PubChem CID103582945
Molecular FormulaC11H7BrClNO2
Molecular Weight300.54 g/mol
Exact Mass298.93
IUPAC Name2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
SMILESOc1ccccc1Oc1ncc(Br)cc1Cl
InChIInChI=1S/C11H7BrClNO2/c12-7-5-8(13)11(14-6-7)16-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyOYGJRCKEQCCBEK-UHFFFAOYSA-N
XLogP4.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol (CID 103582945) is 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol is Oc1ccccc1Oc1ncc(Br)cc1Cl.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol?
The InChIKey is OYGJRCKEQCCBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/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-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol?
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol has a molecular weight of 300.54 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 103582945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).