3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one

C11H14BrNO3 — CID 114760663

IUPAC3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one
SMILESO=c1c(Br)cccn1CCC1OCCCO1
InChIInChI=1S/C11H14BrNO3/c12-9-3-1-5-13(11(9)14)6-4-10-15-7-2-8-16-10/h1,3,5,10H,2,4,6-8H2
InChIKeyNCCZBLDTWMNQGE-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.76
Rot. Bonds3

About 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one

3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one (PubChem CID 114760663) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one
PubChem CID114760663
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one
SMILESO=c1c(Br)cccn1CCC1OCCCO1
InChIInChI=1S/C11H14BrNO3/c12-9-3-1-5-13(11(9)14)6-4-10-15-7-2-8-16-10/h1,3,5,10H,2,4,6-8H2
InChIKeyNCCZBLDTWMNQGE-UHFFFAOYSA-N
XLogP1.76
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-dioxan-2-yl)ethyl]pyrrole-2-carbonitrile
CID 114651386
3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
CID 82146616
3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one
CID 66472134
3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 114761535
3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one
CID 66472540
3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one
CID 114760572
3-bromo-1-(iodomethyl)pyridin-2-one
CID 172778363
3-bromo-1-dodecylpyridin-2-one
CID 114761270
1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylbenzimidazol-2-one
CID 66474341
2-[2-(1,3-dioxan-2-yl)ethyl]-1,3-dihydroisoindole
CID 66474126
3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
CID 114760810

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one (CID 114760663) is 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one is O=c1c(Br)cccn1CCC1OCCCO1.
What is the InChIKey of 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one?
The InChIKey is NCCZBLDTWMNQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c12-9-3-1-5-13(11(9)14)6-4-10-15-7-2-8-16-10/h1,3,5,10H,2,4,6-8H2.
What are the key properties of 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one?
3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one has a molecular weight of 288.14 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 114760663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).