4-(5-bromo-3-pyridinyl)phenol

C11H8BrNO — CID 68606449

IUPAC4-(5-bromo-3-pyridinyl)phenol
SMILESOc1ccc(-c2cncc(Br)c2)cc1
InChIInChI=1S/C11H8BrNO/c12-10-5-9(6-13-7-10)8-1-3-11(14)4-2-8/h1-7,14H
InChIKeyYXNJSEFNCCQFLZ-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.22
Rot. Bonds1

About 4-(5-bromo-3-pyridinyl)phenol

4-(5-bromo-3-pyridinyl)phenol (PubChem CID 68606449) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)phenol.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)phenol
PubChem CID68606449
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC Name4-(5-bromo-3-pyridinyl)phenol
SMILESOc1ccc(-c2cncc(Br)c2)cc1
InChIInChI=1S/C11H8BrNO/c12-10-5-9(6-13-7-10)8-1-3-11(14)4-2-8/h1-7,14H
InChIKeyYXNJSEFNCCQFLZ-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)phenol?
The IUPAC name of 4-(5-bromo-3-pyridinyl)phenol (CID 68606449) is 4-(5-bromo-3-pyridinyl)phenol.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)phenol?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)phenol is Oc1ccc(-c2cncc(Br)c2)cc1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)phenol?
The InChIKey is YXNJSEFNCCQFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-10-5-9(6-13-7-10)8-1-3-11(14)4-2-8/h1-7,14H.
What are the key properties of 4-(5-bromo-3-pyridinyl)phenol?
4-(5-bromo-3-pyridinyl)phenol has a molecular weight of 250.10 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)phenol is sourced from PubChem (CID 68606449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).