5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine

C10H5ClF3N3O — CID 169205271

IUPAC5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(Oc2ncccc2Cl)cn1
InChIInChI=1S/C10H5ClF3N3O/c11-7-2-1-3-15-8(7)18-6-4-16-9(17-5-6)10(12,13)14/h1-5H
InChIKeyDANGTOCFFAUDEJ-UHFFFAOYSA-N
MW275.62 g/mol
LogP3.34
Rot. Bonds2

About 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine

5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine (PubChem CID 169205271) has the molecular formula C10H5ClF3N3O and a molecular weight of 275.62 g/mol. Its IUPAC name is 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
PubChem CID169205271
Molecular FormulaC10H5ClF3N3O
Molecular Weight275.62 g/mol
Exact Mass275.01
IUPAC Name5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(Oc2ncccc2Cl)cn1
InChIInChI=1S/C10H5ClF3N3O/c11-7-2-1-3-15-8(7)18-6-4-16-9(17-5-6)10(12,13)14/h1-5H
InChIKeyDANGTOCFFAUDEJ-UHFFFAOYSA-N
XLogP3.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.62
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine (CID 169205271) is 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncc(Oc2ncccc2Cl)cn1.
What is the InChIKey of 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine?
The InChIKey is DANGTOCFFAUDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O/c11-7-2-1-3-15-8(7)18-6-4-16-9(17-5-6)10(12,13)14/h1-5H.
What are the key properties of 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine?
5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine has a molecular weight of 275.62 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 169205271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).