3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile

C17H8ClF3N4O — CID 118239288

IUPAC3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(Oc2ncc(Cl)cn2)c1-c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C17H8ClF3N4O/c18-12-8-24-16(25-9-12)26-14-3-1-2-10(7-22)15(14)13-6-11(4-5-23-13)17(19,20)21/h1-6,8-9H
InChIKeyQGCGYTGTWFVODM-UHFFFAOYSA-N
MW376.73 g/mol
LogP4.87
Rot. Bonds3

About 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile

3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile (PubChem CID 118239288) has the molecular formula C17H8ClF3N4O and a molecular weight of 376.73 g/mol. Its IUPAC name is 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile
PubChem CID118239288
Molecular FormulaC17H8ClF3N4O
Molecular Weight376.73 g/mol
Exact Mass376.03
IUPAC Name3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(Oc2ncc(Cl)cn2)c1-c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C17H8ClF3N4O/c18-12-8-24-16(25-9-12)26-14-3-1-2-10(7-22)15(14)13-6-11(4-5-23-13)17(19,20)21/h1-6,8-9H
InChIKeyQGCGYTGTWFVODM-UHFFFAOYSA-N
XLogP4.87
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.73
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile (CID 118239288) is 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile is N#Cc1cccc(Oc2ncc(Cl)cn2)c1-c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile?
The InChIKey is QGCGYTGTWFVODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClF3N4O/c18-12-8-24-16(25-9-12)26-14-3-1-2-10(7-22)15(14)13-6-11(4-5-23-13)17(19,20)21/h1-6,8-9H.
What are the key properties of 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile?
3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile has a molecular weight of 376.73 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyrimidin-2-yl)oxy-2-[4-(trifluoromethyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 118239288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).