7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

C11H5BrClFN4O — CID 102918207

IUPAC7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(Br)cc(Oc2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C11H5BrClFN4O/c12-6-1-7(14)3-8(2-6)19-10-4-9(13)17-11-15-5-16-18(10)11/h1-5H
InChIKeyLBCKEDCEFIXPLL-UHFFFAOYSA-N
MW343.54 g/mol
LogP3.47
Rot. Bonds2

About 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102918207) has the molecular formula C11H5BrClFN4O and a molecular weight of 343.54 g/mol. Its IUPAC name is 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102918207
Molecular FormulaC11H5BrClFN4O
Molecular Weight343.54 g/mol
Exact Mass341.93
IUPAC Name7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(Br)cc(Oc2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C11H5BrClFN4O/c12-6-1-7(14)3-8(2-6)19-10-4-9(13)17-11-15-5-16-18(10)11/h1-5H
InChIKeyLBCKEDCEFIXPLL-UHFFFAOYSA-N
XLogP3.47
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102918207) is 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1cc(Br)cc(Oc2cc(Cl)nc3ncnn23)c1.
What is the InChIKey of 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LBCKEDCEFIXPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFN4O/c12-6-1-7(14)3-8(2-6)19-10-4-9(13)17-11-15-5-16-18(10)11/h1-5H.
What are the key properties of 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 343.54 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102918207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).