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

C17H8F4N4O — CID 133391490

IUPAC2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1c(F)cccc1Oc1cc(C(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C17H8F4N4O/c18-12-2-1-3-13(11(12)9-22)26-15-8-14(17(19,20)21)24-16(25-15)10-4-6-23-7-5-10/h1-8H
InChIKeyTXRIHBXINYFZHB-UHFFFAOYSA-N
MW360.27 g/mol
LogP4.36
Rot. Bonds3

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

2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 133391490) has the molecular formula C17H8F4N4O and a molecular weight of 360.27 g/mol. Its IUPAC name is 2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
PubChem CID133391490
Molecular FormulaC17H8F4N4O
Molecular Weight360.27 g/mol
Exact Mass360.06
IUPAC Name2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1c(F)cccc1Oc1cc(C(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C17H8F4N4O/c18-12-2-1-3-13(11(12)9-22)26-15-8-14(17(19,20)21)24-16(25-15)10-4-6-23-7-5-10/h1-8H
InChIKeyTXRIHBXINYFZHB-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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Related Compounds

2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile
CID 133391543
3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 133376836
2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61229937
1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone
CID 133319885
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
2-[2-amino-6-(methylamino)pyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80874760
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 80966111
2-chloro-4-(2-fluorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 114562029
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile
CID 80873989
2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile
CID 80921001
2-fluoro-6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]benzonitrile
CID 133391494
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (CID 133391490) is 2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is N#Cc1c(F)cccc1Oc1cc(C(F)(F)F)nc(-c2ccncc2)n1.
What is the InChIKey of 2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is TXRIHBXINYFZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F4N4O/c18-12-2-1-3-13(11(12)9-22)26-15-8-14(17(19,20)21)24-16(25-15)10-4-6-23-7-5-10/h1-8H.
What are the key properties of 2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
2-fluoro-6-[2-pyridin-4-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 2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 133391490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).