2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile

C11H12BrN3O2 — CID 90408596

IUPAC2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(Br)cc(N2CCOCC2)c1=O
InChIInChI=1S/C11H12BrN3O2/c12-9-7-10(14-3-5-17-6-4-14)11(16)15(8-9)2-1-13/h7-8H,2-6H2
InChIKeyQDZDQZANHXXBJY-UHFFFAOYSA-N
MW298.14 g/mol
LogP0.97
Rot. Bonds2

About 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile

2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile (PubChem CID 90408596) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile
PubChem CID90408596
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(Br)cc(N2CCOCC2)c1=O
InChIInChI=1S/C11H12BrN3O2/c12-9-7-10(14-3-5-17-6-4-14)11(16)15(8-9)2-1-13/h7-8H,2-6H2
InChIKeyQDZDQZANHXXBJY-UHFFFAOYSA-N
XLogP0.97
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-(2-morpholinoethyl)pyridin-2(1H)-one
CID 68734747
5-bromo-1-isopropyl-3-morpholinopyridin-2(1H)-one
CID 90408099
5-bromo-1-ethyl-3-morpholinopyridin-2(1H)-one
CID 90408118
(2S)-2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)propanenitrile
CID 90408167
2-(5-Bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)propanenitrile
CID 90408170
5-bromo-1-(2-hydroxyethyl)-3-morpholinopyridin-2(1H)-one
CID 90408554
5-bromo-1-methyl-3-morpholinopyridin-2(1H)-one
CID 90408938
3-bromo-1-methyl-5-morpholinopyridin-2(1H)-one
CID 90409027
(2R)-2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)propanenitrile
CID 90409154
5-Bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one
CID 90409644
5-Bromo-3-morpholinopyridin-2-ol
CID 90409853
1-Amino-5-bromo-3-morpholin-4-ylpyridin-2-one
CID 132067786

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile (CID 90408596) is 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile is N#CCn1cc(Br)cc(N2CCOCC2)c1=O.
What is the InChIKey of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile?
The InChIKey is QDZDQZANHXXBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c12-9-7-10(14-3-5-17-6-4-14)11(16)15(8-9)2-1-13/h7-8H,2-6H2.
What are the key properties of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile?
2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile has a molecular weight of 298.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 90408596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).