5-bromo-2-phenoxypyrimidine

C10H7BrN2O — CID 642842

IUPAC5-bromo-2-phenoxypyrimidine
SMILESBrc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C10H7BrN2O/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h1-7H
InChIKeyZFECRMYYOMVREH-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.03
Rot. Bonds2

About 5-bromo-2-phenoxypyrimidine

5-bromo-2-phenoxypyrimidine (PubChem CID 642842) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 5-bromo-2-phenoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-phenoxypyrimidine
PubChem CID642842
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name5-bromo-2-phenoxypyrimidine
SMILESBrc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C10H7BrN2O/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h1-7H
InChIKeyZFECRMYYOMVREH-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenoxypyrimidine?
The IUPAC name of 5-bromo-2-phenoxypyrimidine (CID 642842) is 5-bromo-2-phenoxypyrimidine.
What is the SMILES notation for 5-bromo-2-phenoxypyrimidine?
The canonical SMILES for 5-bromo-2-phenoxypyrimidine is Brc1cnc(Oc2ccccc2)nc1.
What is the InChIKey of 5-bromo-2-phenoxypyrimidine?
The InChIKey is ZFECRMYYOMVREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h1-7H.
What are the key properties of 5-bromo-2-phenoxypyrimidine?
5-bromo-2-phenoxypyrimidine has a molecular weight of 251.08 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenoxypyrimidine is sourced from PubChem (CID 642842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).