2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine

C17H9F6N3O — CID 1475724

IUPAC2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H9F6N3O/c18-16(19,20)10-4-3-5-11(8-10)27-14-9-13(17(21,22)23)25-15(26-14)12-6-1-2-7-24-12/h1-9H
InChIKeyFCABNNKKMIJGIL-UHFFFAOYSA-N
MW385.27 g/mol
LogP5.37
Rot. Bonds3

About 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine

2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 1475724) has the molecular formula C17H9F6N3O and a molecular weight of 385.27 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID1475724
Molecular FormulaC17H9F6N3O
Molecular Weight385.27 g/mol
Exact Mass385.06
IUPAC Name2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H9F6N3O/c18-16(19,20)10-4-3-5-11(8-10)27-14-9-13(17(21,22)23)25-15(26-14)12-6-1-2-7-24-12/h1-9H
InChIKeyFCABNNKKMIJGIL-UHFFFAOYSA-N
XLogP5.37
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.27
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 1475724) is 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cccc(Oc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is FCABNNKKMIJGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N3O/c18-16(19,20)10-4-3-5-11(8-10)27-14-9-13(17(21,22)23)25-15(26-14)12-6-1-2-7-24-12/h1-9H.
What are the key properties of 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 385.27 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 1475724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).