2-(4-bromophenoxy)pyrimidine

C10H7BrN2O — CID 24704186

IUPAC2-(4-bromophenoxy)pyrimidine
SMILESBrc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C10H7BrN2O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H
InChIKeyHHJBRCBIEQHCOI-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.03
Rot. Bonds2

About 2-(4-bromophenoxy)pyrimidine

2-(4-bromophenoxy)pyrimidine (PubChem CID 24704186) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 2-(4-bromophenoxy)pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenoxy)pyrimidine
PubChem CID24704186
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name2-(4-bromophenoxy)pyrimidine
SMILESBrc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C10H7BrN2O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H
InChIKeyHHJBRCBIEQHCOI-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 2-(4-bromophenoxy)pyrimidine?
The IUPAC name of 2-(4-bromophenoxy)pyrimidine (CID 24704186) is 2-(4-bromophenoxy)pyrimidine.
What is the SMILES notation for 2-(4-bromophenoxy)pyrimidine?
The canonical SMILES for 2-(4-bromophenoxy)pyrimidine is Brc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)pyrimidine?
The InChIKey is HHJBRCBIEQHCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H.
What are the key properties of 2-(4-bromophenoxy)pyrimidine?
2-(4-bromophenoxy)pyrimidine 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 2-(4-bromophenoxy)pyrimidine is sourced from PubChem (CID 24704186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).