5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine

C9H5BrFN3O — CID 130741703

IUPAC5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine
SMILESFc1cncc(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C9H5BrFN3O/c10-6-2-13-9(14-3-6)15-8-1-7(11)4-12-5-8/h1-5H
InChIKeyUWCCLEGGEQQOAE-UHFFFAOYSA-N
MW270.06 g/mol
LogP2.57
Rot. Bonds2

About 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine

5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine (PubChem CID 130741703) has the molecular formula C9H5BrFN3O and a molecular weight of 270.06 g/mol. Its IUPAC name is 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine
PubChem CID130741703
Molecular FormulaC9H5BrFN3O
Molecular Weight270.06 g/mol
Exact Mass268.96
IUPAC Name5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine
SMILESFc1cncc(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C9H5BrFN3O/c10-6-2-13-9(14-3-6)15-8-1-7(11)4-12-5-8/h1-5H
InChIKeyUWCCLEGGEQQOAE-UHFFFAOYSA-N
XLogP2.57
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine (CID 130741703) is 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine is Fc1cncc(Oc2ncc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine?
The InChIKey is UWCCLEGGEQQOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN3O/c10-6-2-13-9(14-3-6)15-8-1-7(11)4-12-5-8/h1-5H.
What are the key properties of 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine?
5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine has a molecular weight of 270.06 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-fluoro-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 130741703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).