pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone

C17H10F3N3O3 — CID 118431451

IUPACpyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
SMILESO=C(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C17H10F3N3O3/c18-17(19,20)26-13-3-1-12(2-4-13)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11/h1-10H
InChIKeyCFRNYFZTVNNPGN-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.79
Rot. Bonds5

About pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone

pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone (PubChem CID 118431451) has the molecular formula C17H10F3N3O3 and a molecular weight of 361.28 g/mol. Its IUPAC name is pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
PubChem CID118431451
Molecular FormulaC17H10F3N3O3
Molecular Weight361.28 g/mol
Exact Mass361.07
IUPAC Namepyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
SMILESO=C(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C17H10F3N3O3/c18-17(19,20)26-13-3-1-12(2-4-13)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11/h1-10H
InChIKeyCFRNYFZTVNNPGN-UHFFFAOYSA-N
XLogP3.79
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone?
The IUPAC name of pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone (CID 118431451) is pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone.
What is the SMILES notation for pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone?
The canonical SMILES for pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone is O=C(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone?
The InChIKey is CFRNYFZTVNNPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O3/c18-17(19,20)26-13-3-1-12(2-4-13)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11/h1-10H.
What are the key properties of pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone?
pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone has a molecular weight of 361.28 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone is sourced from PubChem (CID 118431451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).