5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine

C7H4BrClN4O — CID 122480360

IUPAC5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine
SMILESClc1ncc(Oc2cn[nH]c2Br)cn1
InChIInChI=1S/C7H4BrClN4O/c8-6-5(3-12-13-6)14-4-1-10-7(9)11-2-4/h1-3H,(H,12,13)
InChIKeyXCLQLQJPNCWVHW-UHFFFAOYSA-N
MW275.49 g/mol
LogP2.41
Rot. Bonds2

About 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine

5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine (PubChem CID 122480360) has the molecular formula C7H4BrClN4O and a molecular weight of 275.49 g/mol. Its IUPAC name is 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine.

Molecular Properties

Compound Name5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine
PubChem CID122480360
Molecular FormulaC7H4BrClN4O
Molecular Weight275.49 g/mol
Exact Mass273.93
IUPAC Name5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine
SMILESClc1ncc(Oc2cn[nH]c2Br)cn1
InChIInChI=1S/C7H4BrClN4O/c8-6-5(3-12-13-6)14-4-1-10-7(9)11-2-4/h1-3H,(H,12,13)
InChIKeyXCLQLQJPNCWVHW-UHFFFAOYSA-N
XLogP2.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine?
The IUPAC name of 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine (CID 122480360) is 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine.
What is the SMILES notation for 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine?
The canonical SMILES for 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine is Clc1ncc(Oc2cn[nH]c2Br)cn1.
What is the InChIKey of 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine?
The InChIKey is XCLQLQJPNCWVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN4O/c8-6-5(3-12-13-6)14-4-1-10-7(9)11-2-4/h1-3H,(H,12,13).
What are the key properties of 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine?
5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine has a molecular weight of 275.49 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine is sourced from PubChem (CID 122480360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).