2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile

C13H9BrN2O — CID 129319703

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile
SMILESN#CC(Oc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C13H9BrN2O/c14-11-6-12(9-16-8-11)17-13(7-15)10-4-2-1-3-5-10/h1-6,8-9,13H
InChIKeyAVAFITYVQFVPLW-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.49
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile

2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile (PubChem CID 129319703) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile
PubChem CID129319703
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile
SMILESN#CC(Oc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C13H9BrN2O/c14-11-6-12(9-16-8-11)17-13(7-15)10-4-2-1-3-5-10/h1-6,8-9,13H
InChIKeyAVAFITYVQFVPLW-UHFFFAOYSA-N
XLogP3.49
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromopyrimidin-2-yl)oxy-2-phenylacetonitrile
CID 175401816
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile
CID 174633884
3-bromo-5-phenylmethoxypyridine
CID 15389198
[3-[cyano(phenyl)methoxy]phenoxy] formate
CID 174311364
3-[(5-bromo-3-pyridinyl)oxy]benzonitrile
CID 73011173
3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine
CID 141396943
3-bromo-5-(1,2,2,2-tetrafluoroethoxy)pyridine
CID 175443421
3-bromo-5-(2-phenyl-1-pyrrolidin-3-ylethoxy)pyridine
CID 70099298
3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
CID 158462322
2-phenyl-2-trimethylsilylperoxyacetonitrile
CID 87211766
3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol
CID 174205406

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile (CID 129319703) is 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile is N#CC(Oc1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile?
The InChIKey is AVAFITYVQFVPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-11-6-12(9-16-8-11)17-13(7-15)10-4-2-1-3-5-10/h1-6,8-9,13H.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile?
2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile has a molecular weight of 289.13 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile is sourced from PubChem (CID 129319703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).