2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone

C11H12BrNO3 — CID 115801104

IUPAC2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)C1COCCO1
InChIInChI=1S/C11H12BrNO3/c12-8-1-2-9(13-6-8)5-10(14)11-7-15-3-4-16-11/h1-2,6,11H,3-5,7H2
InChIKeyFRVQHHBAGOPNGW-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.37
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone

2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone (PubChem CID 115801104) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone
PubChem CID115801104
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)C1COCCO1
InChIInChI=1S/C11H12BrNO3/c12-8-1-2-9(13-6-8)5-10(14)11-7-15-3-4-16-11/h1-2,6,11H,3-5,7H2
InChIKeyFRVQHHBAGOPNGW-UHFFFAOYSA-N
XLogP1.37
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62803295
1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone
CID 62805632
2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
CID 116550365
2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone
CID 131107631
2-(5-bromo-2-pyridinyl)-1-(thiolan-2-yl)ethanone
CID 104799279
5-bromo-2-(1,4-dioxan-2-yl)pyridine
CID 130138724
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone
CID 62805450
2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62805451
2-(4-bromophenyl)-3-(1,4-dioxan-2-yl)-3-oxopropanenitrile
CID 62803661
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738
1-(5-bromo-2-pyridinyl)pent-4-en-2-one
CID 116659555

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone (CID 115801104) is 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone is O=C(Cc1ccc(Br)cn1)C1COCCO1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone?
The InChIKey is FRVQHHBAGOPNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c12-8-1-2-9(13-6-8)5-10(14)11-7-15-3-4-16-11/h1-2,6,11H,3-5,7H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone has a molecular weight of 286.12 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone is sourced from PubChem (CID 115801104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).