2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile

C12H8BrN3O — CID 175401816

IUPAC2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile
SMILESN#CC(Oc1ncc(Br)cn1)c1ccccc1
InChIInChI=1S/C12H8BrN3O/c13-10-7-15-12(16-8-10)17-11(6-14)9-4-2-1-3-5-9/h1-5,7-8,11H
InChIKeyBYORTGYXZGIDSL-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.88
Rot. Bonds3

About 2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile

2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile (PubChem CID 175401816) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile
PubChem CID175401816
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile
SMILESN#CC(Oc1ncc(Br)cn1)c1ccccc1
InChIInChI=1S/C12H8BrN3O/c13-10-7-15-12(16-8-10)17-11(6-14)9-4-2-1-3-5-9/h1-5,7-8,11H
InChIKeyBYORTGYXZGIDSL-UHFFFAOYSA-N
XLogP2.88
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-phenylethoxy)pyrimidine
CID 63867238
2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile
CID 129319703
(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile
CID 174633884
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
2-phenyl-2-trimethylsilylperoxyacetonitrile
CID 87211766
2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile
CID 70797697
N-benzhydryl-5-bromopyrimidin-2-amine
CID 63874353
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
[cyano(phenyl)methoxy]methanedithioic acid
CID 87730336
5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine
CID 63873636
[cyano(phenyl)methoxy] methanesulfonate
CID 87211740
2-(3-hydroxybutan-2-yloxy)-2-phenylacetonitrile
CID 85303765

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile?
The IUPAC name of 2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile (CID 175401816) is 2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile.
What is the SMILES notation for 2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile?
The canonical SMILES for 2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile is N#CC(Oc1ncc(Br)cn1)c1ccccc1.
What is the InChIKey of 2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile?
The InChIKey is BYORTGYXZGIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-10-7-15-12(16-8-10)17-11(6-14)9-4-2-1-3-5-9/h1-5,7-8,11H.
What are the key properties of 2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile?
2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile has a molecular weight of 290.12 g/mol, XLogP of 2.88, 3 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-2-phenylacetonitrile is sourced from PubChem (CID 175401816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).