5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine

C8H4ClF3N4O — CID 162441319

IUPAC5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ncc(Cl)cn2)n[nH]1
InChIInChI=1S/C8H4ClF3N4O/c9-4-2-13-7(14-3-4)17-6-1-5(15-16-6)8(10,11)12/h1-3H,(H,15,16)
InChIKeyLCJCXDKGUMGKTD-UHFFFAOYSA-N
MW264.59 g/mol
LogP2.66
Rot. Bonds2

About 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine

5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine (PubChem CID 162441319) has the molecular formula C8H4ClF3N4O and a molecular weight of 264.59 g/mol. Its IUPAC name is 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine
PubChem CID162441319
Molecular FormulaC8H4ClF3N4O
Molecular Weight264.59 g/mol
Exact Mass264.00
IUPAC Name5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ncc(Cl)cn2)n[nH]1
InChIInChI=1S/C8H4ClF3N4O/c9-4-2-13-7(14-3-4)17-6-1-5(15-16-6)8(10,11)12/h1-3H,(H,15,16)
InChIKeyLCJCXDKGUMGKTD-UHFFFAOYSA-N
XLogP2.66
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine?
The IUPAC name of 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine (CID 162441319) is 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine?
The canonical SMILES for 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine is FC(F)(F)c1cc(Oc2ncc(Cl)cn2)n[nH]1.
What is the InChIKey of 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine?
The InChIKey is LCJCXDKGUMGKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4O/c9-4-2-13-7(14-3-4)17-6-1-5(15-16-6)8(10,11)12/h1-3H,(H,15,16).
What are the key properties of 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine?
5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine has a molecular weight of 264.59 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine is sourced from PubChem (CID 162441319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).