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

C17H12F3N3O2 — CID 3792008

IUPAC5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O2/c1-24-14-10-22-15(13-7-2-3-8-21-13)23-16(14)25-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3
InChIKeyQJSZZFDOHFELDJ-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.36
Rot. Bonds4

About 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine

5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 3792008) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID3792008
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O2/c1-24-14-10-22-15(13-7-2-3-8-21-13)23-16(14)25-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3
InChIKeyQJSZZFDOHFELDJ-UHFFFAOYSA-N
XLogP4.36
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 3792008) is 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine is COc1cnc(-c2ccccn2)nc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is QJSZZFDOHFELDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-24-14-10-22-15(13-7-2-3-8-21-13)23-16(14)25-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3.
What are the key properties of 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 347.30 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 3792008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).