2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile

C12H13BrN2O — CID 43802955

IUPAC2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C12H13BrN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2
InChIKeyJDBWNHVPBRFVGZ-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.35
Rot. Bonds2

About 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile

2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 43802955) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile
PubChem CID43802955
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C12H13BrN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2
InChIKeyJDBWNHVPBRFVGZ-UHFFFAOYSA-N
XLogP2.35
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile (CID 43802955) is 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile is N#CC(c1ccccc1Br)N1CCOCC1.
What is the InChIKey of 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is JDBWNHVPBRFVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2.
What are the key properties of 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile?
2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 281.15 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 43802955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).