2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone

C17H17BrN2O3 — CID 57396752

IUPAC2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17BrN2O3/c18-14-3-1-2-4-16(14)23-12-15(21)13-5-6-17(19-11-13)20-7-9-22-10-8-20/h1-6,11H,7-10,12H2
InChIKeyBANYHRKMJFRMCK-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.94
Rot. Bonds5

About 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone

2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone (PubChem CID 57396752) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
PubChem CID57396752
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17BrN2O3/c18-14-3-1-2-4-16(14)23-12-15(21)13-5-6-17(19-11-13)20-7-9-22-10-8-20/h1-6,11H,7-10,12H2
InChIKeyBANYHRKMJFRMCK-UHFFFAOYSA-N
XLogP2.94
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone (CID 57396752) is 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone is O=C(COc1ccccc1Br)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
The InChIKey is BANYHRKMJFRMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-14-3-1-2-4-16(14)23-12-15(21)13-5-6-17(19-11-13)20-7-9-22-10-8-20/h1-6,11H,7-10,12H2.
What are the key properties of 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone has a molecular weight of 377.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 57396752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).