4-bromo-2-pyridin-2-ylphenol

C11H8BrNO — CID 136808154

IUPAC4-bromo-2-pyridin-2-ylphenol
SMILESOc1ccc(Br)cc1-c1ccccn1
InChIInChI=1S/C11H8BrNO/c12-8-4-5-11(14)9(7-8)10-3-1-2-6-13-10/h1-7,14H
InChIKeyWWRWCPNHQHIYFZ-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.22
Rot. Bonds1

About 4-bromo-2-pyridin-2-ylphenol

4-bromo-2-pyridin-2-ylphenol (PubChem CID 136808154) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 4-bromo-2-pyridin-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-pyridin-2-ylphenol
PubChem CID136808154
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC Name4-bromo-2-pyridin-2-ylphenol
SMILESOc1ccc(Br)cc1-c1ccccn1
InChIInChI=1S/C11H8BrNO/c12-8-4-5-11(14)9(7-8)10-3-1-2-6-13-10/h1-7,14H
InChIKeyWWRWCPNHQHIYFZ-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-bromo-2-pyridin-2-ylphenol?
The IUPAC name of 4-bromo-2-pyridin-2-ylphenol (CID 136808154) is 4-bromo-2-pyridin-2-ylphenol.
What is the SMILES notation for 4-bromo-2-pyridin-2-ylphenol?
The canonical SMILES for 4-bromo-2-pyridin-2-ylphenol is Oc1ccc(Br)cc1-c1ccccn1.
What is the InChIKey of 4-bromo-2-pyridin-2-ylphenol?
The InChIKey is WWRWCPNHQHIYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-8-4-5-11(14)9(7-8)10-3-1-2-6-13-10/h1-7,14H.
What are the key properties of 4-bromo-2-pyridin-2-ylphenol?
4-bromo-2-pyridin-2-ylphenol 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-bromo-2-pyridin-2-ylphenol is sourced from PubChem (CID 136808154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).