4-bromo-2-pyrimidin-4-ylphenol

C10H7BrN2O — CID 619911

IUPAC4-bromo-2-pyrimidin-4-ylphenol
SMILESOc1ccc(Br)cc1-c1ccncn1
InChIInChI=1S/C10H7BrN2O/c11-7-1-2-10(14)8(5-7)9-3-4-12-6-13-9/h1-6,14H
InChIKeyABKQKZZBQNULAW-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.61
Rot. Bonds1

About 4-bromo-2-pyrimidin-4-ylphenol

4-bromo-2-pyrimidin-4-ylphenol (PubChem CID 619911) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 4-bromo-2-pyrimidin-4-ylphenol.

Molecular Properties

Compound Name4-bromo-2-pyrimidin-4-ylphenol
PubChem CID619911
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name4-bromo-2-pyrimidin-4-ylphenol
SMILESOc1ccc(Br)cc1-c1ccncn1
InChIInChI=1S/C10H7BrN2O/c11-7-1-2-10(14)8(5-7)9-3-4-12-6-13-9/h1-6,14H
InChIKeyABKQKZZBQNULAW-UHFFFAOYSA-N
XLogP2.61
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-pyrimidin-4-ylphenol?
The IUPAC name of 4-bromo-2-pyrimidin-4-ylphenol (CID 619911) is 4-bromo-2-pyrimidin-4-ylphenol.
What is the SMILES notation for 4-bromo-2-pyrimidin-4-ylphenol?
The canonical SMILES for 4-bromo-2-pyrimidin-4-ylphenol is Oc1ccc(Br)cc1-c1ccncn1.
What is the InChIKey of 4-bromo-2-pyrimidin-4-ylphenol?
The InChIKey is ABKQKZZBQNULAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-7-1-2-10(14)8(5-7)9-3-4-12-6-13-9/h1-6,14H.
What are the key properties of 4-bromo-2-pyrimidin-4-ylphenol?
4-bromo-2-pyrimidin-4-ylphenol has a molecular weight of 251.08 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-pyrimidin-4-ylphenol is sourced from PubChem (CID 619911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).