2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

C14H19BrN2O2 — CID 113454527

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2cncc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)17-3-4-19-14(9-17)13(18)6-11-5-12(15)8-16-7-11/h5,7-8,10,14H,3-4,6,9H2,1-2H3
InChIKeyXJXYJKGHLLTKNP-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.06
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 113454527) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID113454527
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2cncc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)17-3-4-19-14(9-17)13(18)6-11-5-12(15)8-16-7-11/h5,7-8,10,14H,3-4,6,9H2,1-2H3
InChIKeyXJXYJKGHLLTKNP-UHFFFAOYSA-N
XLogP2.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 113454527) is 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is CC(C)N1CCOC(C(=O)Cc2cncc(Br)c2)C1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is XJXYJKGHLLTKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(2)17-3-4-19-14(9-17)13(18)6-11-5-12(15)8-16-7-11/h5,7-8,10,14H,3-4,6,9H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 327.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 113454527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).