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

C9H5BrClN3O — CID 66319604

IUPAC5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine
SMILESClc1cncc(Oc2ncncc2Br)c1
InChIInChI=1S/C9H5BrClN3O/c10-8-4-13-5-14-9(8)15-7-1-6(11)2-12-3-7/h1-5H
InChIKeyUGVOYLFZVHDJFG-UHFFFAOYSA-N
MW286.52 g/mol
LogP3.08
Rot. Bonds2

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

5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine (PubChem CID 66319604) has the molecular formula C9H5BrClN3O and a molecular weight of 286.52 g/mol. Its IUPAC name is 5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine
PubChem CID66319604
Molecular FormulaC9H5BrClN3O
Molecular Weight286.52 g/mol
Exact Mass284.93
IUPAC Name5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine
SMILESClc1cncc(Oc2ncncc2Br)c1
InChIInChI=1S/C9H5BrClN3O/c10-8-4-13-5-14-9(8)15-7-1-6(11)2-12-3-7/h1-5H
InChIKeyUGVOYLFZVHDJFG-UHFFFAOYSA-N
XLogP3.08
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine (CID 66319604) is 5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine is Clc1cncc(Oc2ncncc2Br)c1.
What is the InChIKey of 5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine?
The InChIKey is UGVOYLFZVHDJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3O/c10-8-4-13-5-14-9(8)15-7-1-6(11)2-12-3-7/h1-5H.
What are the key properties of 5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine?
5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine has a molecular weight of 286.52 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 66319604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).