5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine

C10H5Br2FN2O — CID 83235339

IUPAC5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ncncc2Br)cc1Br
InChIInChI=1S/C10H5Br2FN2O/c11-7-3-6(1-2-9(7)13)16-10-8(12)4-14-5-15-10/h1-5H
InChIKeyACNMEONSKNHEAK-UHFFFAOYSA-N
MW347.97 g/mol
LogP3.93
Rot. Bonds2

About 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine

5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine (PubChem CID 83235339) has the molecular formula C10H5Br2FN2O and a molecular weight of 347.97 g/mol. Its IUPAC name is 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
PubChem CID83235339
Molecular FormulaC10H5Br2FN2O
Molecular Weight347.97 g/mol
Exact Mass345.88
IUPAC Name5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ncncc2Br)cc1Br
InChIInChI=1S/C10H5Br2FN2O/c11-7-3-6(1-2-9(7)13)16-10-8(12)4-14-5-15-10/h1-5H
InChIKeyACNMEONSKNHEAK-UHFFFAOYSA-N
XLogP3.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.97
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4-methoxyphenoxy)pyrimidine
CID 66317769
5-bromo-4-(4-iodophenoxy)pyrimidine
CID 66342526
3-bromo-4-(3-bromo-4-fluorophenoxy)pyridine
CID 104776674
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
4-(3-bromo-4-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 83232697
3-bromo-2-(3-bromo-4-fluorophenoxy)-5-nitropyridine
CID 83235893
5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine
CID 66319604
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 83232893
4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
CID 83231218
2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
CID 104844305
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine?
The IUPAC name of 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine (CID 83235339) is 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine is Fc1ccc(Oc2ncncc2Br)cc1Br.
What is the InChIKey of 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine?
The InChIKey is ACNMEONSKNHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2FN2O/c11-7-3-6(1-2-9(7)13)16-10-8(12)4-14-5-15-10/h1-5H.
What are the key properties of 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine?
5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine has a molecular weight of 347.97 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine is sourced from PubChem (CID 83235339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).