2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile

C11H5BrFN3O — CID 63867087

IUPAC2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1ncc(Br)cn1
InChIInChI=1S/C11H5BrFN3O/c12-7-5-15-11(16-6-7)17-10-3-1-2-9(13)8(10)4-14/h1-3,5-6H
InChIKeyABZZEQLIXCETSJ-UHFFFAOYSA-N
MW294.08 g/mol
LogP3.04
Rot. Bonds2

About 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile

2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile (PubChem CID 63867087) has the molecular formula C11H5BrFN3O and a molecular weight of 294.08 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
PubChem CID63867087
Molecular FormulaC11H5BrFN3O
Molecular Weight294.08 g/mol
Exact Mass292.96
IUPAC Name2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1ncc(Br)cn1
InChIInChI=1S/C11H5BrFN3O/c12-7-5-15-11(16-6-7)17-10-3-1-2-9(13)8(10)4-14/h1-3,5-6H
InChIKeyABZZEQLIXCETSJ-UHFFFAOYSA-N
XLogP3.04
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.08
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
CID 115766284
2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61229937
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorobenzonitrile
CID 62859550
2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80920318
2-[2-(1-aminoethyl)-4-bromophenoxy]-6-fluorobenzonitrile
CID 82975947
5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid
CID 104638416
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-[2-(chloromethyl)-6-fluorophenoxy]-6-fluorobenzonitrile
CID 114068006

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile?
The IUPAC name of 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile (CID 63867087) is 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile?
The canonical SMILES for 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile is N#Cc1c(F)cccc1Oc1ncc(Br)cn1.
What is the InChIKey of 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile?
The InChIKey is ABZZEQLIXCETSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFN3O/c12-7-5-15-11(16-6-7)17-10-3-1-2-9(13)8(10)4-14/h1-3,5-6H.
What are the key properties of 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile?
2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile has a molecular weight of 294.08 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile is sourced from PubChem (CID 63867087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).