2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine

C15H9BrFN3O2 — CID 133315863

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ccnc(Oc3cncc(Br)c3)n2)cc1
InChIInChI=1S/C15H9BrFN3O2/c16-10-7-13(9-18-8-10)22-15-19-6-5-14(20-15)21-12-3-1-11(17)2-4-12/h1-9H
InChIKeyUJUWRKKOYVJDCT-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.36
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine

2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine (PubChem CID 133315863) has the molecular formula C15H9BrFN3O2 and a molecular weight of 362.16 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
PubChem CID133315863
Molecular FormulaC15H9BrFN3O2
Molecular Weight362.16 g/mol
Exact Mass360.99
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ccnc(Oc3cncc(Br)c3)n2)cc1
InChIInChI=1S/C15H9BrFN3O2/c16-10-7-13(9-18-8-10)22-15-19-6-5-14(20-15)21-12-3-1-11(17)2-4-12/h1-9H
InChIKeyUJUWRKKOYVJDCT-UHFFFAOYSA-N
XLogP4.36
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine (CID 133315863) is 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine is Fc1ccc(Oc2ccnc(Oc3cncc(Br)c3)n2)cc1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine?
The InChIKey is UJUWRKKOYVJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3O2/c16-10-7-13(9-18-8-10)22-15-19-6-5-14(20-15)21-12-3-1-11(17)2-4-12/h1-9H.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine?
2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine has a molecular weight of 362.16 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine is sourced from PubChem (CID 133315863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).