5-bromo-2-(3-chlorophenoxy)pyrimidine

C10H6BrClN2O — CID 63868550

IUPAC5-bromo-2-(3-chlorophenoxy)pyrimidine
SMILESClc1cccc(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C10H6BrClN2O/c11-7-5-13-10(14-6-7)15-9-3-1-2-8(12)4-9/h1-6H
InChIKeyVAMQVRMZSPQBNI-UHFFFAOYSA-N
MW285.53 g/mol
LogP3.68
Rot. Bonds2

About 5-bromo-2-(3-chlorophenoxy)pyrimidine

5-bromo-2-(3-chlorophenoxy)pyrimidine (PubChem CID 63868550) has the molecular formula C10H6BrClN2O and a molecular weight of 285.53 g/mol. Its IUPAC name is 5-bromo-2-(3-chlorophenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3-chlorophenoxy)pyrimidine
PubChem CID63868550
Molecular FormulaC10H6BrClN2O
Molecular Weight285.53 g/mol
Exact Mass283.94
IUPAC Name5-bromo-2-(3-chlorophenoxy)pyrimidine
SMILESClc1cccc(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C10H6BrClN2O/c11-7-5-13-10(14-6-7)15-9-3-1-2-8(12)4-9/h1-6H
InChIKeyVAMQVRMZSPQBNI-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chlorophenoxy)pyrimidine?
The IUPAC name of 5-bromo-2-(3-chlorophenoxy)pyrimidine (CID 63868550) is 5-bromo-2-(3-chlorophenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(3-chlorophenoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(3-chlorophenoxy)pyrimidine is Clc1cccc(Oc2ncc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-(3-chlorophenoxy)pyrimidine?
The InChIKey is VAMQVRMZSPQBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O/c11-7-5-13-10(14-6-7)15-9-3-1-2-8(12)4-9/h1-6H.
What are the key properties of 5-bromo-2-(3-chlorophenoxy)pyrimidine?
5-bromo-2-(3-chlorophenoxy)pyrimidine has a molecular weight of 285.53 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chlorophenoxy)pyrimidine is sourced from PubChem (CID 63868550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).