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

C17H10F3N3O2 — CID 118431397

IUPACpyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone
SMILESO=C(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)12-1-3-13(4-2-12)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11/h1-10H
InChIKeyWWQWVTCZSYXIQX-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.91
Rot. Bonds4

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

pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone (PubChem CID 118431397) has the molecular formula C17H10F3N3O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone
PubChem CID118431397
Molecular FormulaC17H10F3N3O2
Molecular Weight345.28 g/mol
Exact Mass345.07
IUPAC Namepyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone
SMILESO=C(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)12-1-3-13(4-2-12)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11/h1-10H
InChIKeyWWQWVTCZSYXIQX-UHFFFAOYSA-N
XLogP3.91
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone?
The IUPAC name of pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone (CID 118431397) is pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone.
What is the SMILES notation for pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone?
The canonical SMILES for pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone is O=C(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone?
The InChIKey is WWQWVTCZSYXIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2/c18-17(19,20)12-1-3-13(4-2-12)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-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone?
pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone has a molecular weight of 345.28 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone is sourced from PubChem (CID 118431397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).