[4-(5-bromopyrimidin-4-yl)phenyl]methanol

C11H9BrN2O — CID 72721332

IUPAC[4-(5-bromopyrimidin-4-yl)phenyl]methanol
SMILESOCc1ccc(-c2ncncc2Br)cc1
InChIInChI=1S/C11H9BrN2O/c12-10-5-13-7-14-11(10)9-3-1-8(6-15)2-4-9/h1-5,7,15H,6H2
InChIKeyBKMIIIKGEGWBIQ-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.40
Rot. Bonds2

About [4-(5-bromopyrimidin-4-yl)phenyl]methanol

[4-(5-bromopyrimidin-4-yl)phenyl]methanol (PubChem CID 72721332) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is [4-(5-bromopyrimidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(5-bromopyrimidin-4-yl)phenyl]methanol
PubChem CID72721332
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name[4-(5-bromopyrimidin-4-yl)phenyl]methanol
SMILESOCc1ccc(-c2ncncc2Br)cc1
InChIInChI=1S/C11H9BrN2O/c12-10-5-13-7-14-11(10)9-3-1-8(6-15)2-4-9/h1-5,7,15H,6H2
InChIKeyBKMIIIKGEGWBIQ-UHFFFAOYSA-N
XLogP2.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrimidin-4-yl)phenyl]methanol?
The IUPAC name of [4-(5-bromopyrimidin-4-yl)phenyl]methanol (CID 72721332) is [4-(5-bromopyrimidin-4-yl)phenyl]methanol.
What is the SMILES notation for [4-(5-bromopyrimidin-4-yl)phenyl]methanol?
The canonical SMILES for [4-(5-bromopyrimidin-4-yl)phenyl]methanol is OCc1ccc(-c2ncncc2Br)cc1.
What is the InChIKey of [4-(5-bromopyrimidin-4-yl)phenyl]methanol?
The InChIKey is BKMIIIKGEGWBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-5-13-7-14-11(10)9-3-1-8(6-15)2-4-9/h1-5,7,15H,6H2.
What are the key properties of [4-(5-bromopyrimidin-4-yl)phenyl]methanol?
[4-(5-bromopyrimidin-4-yl)phenyl]methanol has a molecular weight of 265.11 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromopyrimidin-4-yl)phenyl]methanol is sourced from PubChem (CID 72721332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).