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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Related Compounds

5-chloro-7-(3,5-dimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918100
7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076016
5-chloro-7-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918218
2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine
CID 81332174
5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918153
4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine
CID 81332258
5-chloro-7-(2-methyl-5-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918147
5-[(3-bromo-5-fluorophenoxy)methyl]-1-ethyl-1,2,4-triazole
CID 81331786
5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918776
5-pyridin-4-yl-7-pyridin-4-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 143398176
5-bromo-6-(3-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073529
2-bromo-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]benzaldehyde
CID 133384833

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).