3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile

C17H8F4N4O — CID 133376836

IUPAC3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(F)c1
InChIInChI=1S/C17H8F4N4O/c18-12-6-10(8-22)3-4-13(12)26-15-7-14(17(19,20)21)24-16(25-15)11-2-1-5-23-9-11/h1-7,9H
InChIKeyUVFZGNWELNWDFY-UHFFFAOYSA-N
MW360.27 g/mol
LogP4.36
Rot. Bonds3

About 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile

3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 133376836) has the molecular formula C17H8F4N4O and a molecular weight of 360.27 g/mol. Its IUPAC name is 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
PubChem CID133376836
Molecular FormulaC17H8F4N4O
Molecular Weight360.27 g/mol
Exact Mass360.06
IUPAC Name3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(F)c1
InChIInChI=1S/C17H8F4N4O/c18-12-6-10(8-22)3-4-13(12)26-15-7-14(17(19,20)21)24-16(25-15)11-2-1-5-23-9-11/h1-7,9H
InChIKeyUVFZGNWELNWDFY-UHFFFAOYSA-N
XLogP4.36
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (CID 133376836) is 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is N#Cc1ccc(Oc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is UVFZGNWELNWDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F4N4O/c18-12-6-10(8-22)3-4-13(12)26-15-7-14(17(19,20)21)24-16(25-15)11-2-1-5-23-9-11/h1-7,9H.
What are the key properties of 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 360.27 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 133376836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).