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

C12H13BrN2O — CID 703306

IUPAC(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#C[C@@H](c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C12H13BrN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2/t12-/m0/s1
InChIKeyCQNJVZUJKXIJFA-LBPRGKRZSA-N
MW281.15 g/mol
LogP2.35
Rot. Bonds2

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

(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 703306) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
PubChem CID703306
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#C[C@@H](c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C12H13BrN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2/t12-/m0/s1
InChIKeyCQNJVZUJKXIJFA-LBPRGKRZSA-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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Related Compounds

2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile
CID 90219831
(2S,3S)-2-(4-bromophenyl)-3-(4-methylphenyl)-3-morpholin-4-ylpropanenitrile
CID 26793545
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
CID 67533209
(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetonitrile
CID 1478936
5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65340879
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
(2S)-2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 1487174
1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine
CID 91515805
4-[1-(4-bromophenoxy)ethyl]morpholine
CID 18446587

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile (CID 703306) is (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile is N#C[C@@H](c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is CQNJVZUJKXIJFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-8H2/t12-/m0/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile?
(2R)-2-(4-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 (2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 703306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).