5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one

C12H16BrNO3 — CID 172614475

IUPAC5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCOC1CCCCO1
InChIInChI=1S/C12H16BrNO3/c13-10-4-5-11(15)14(9-10)6-8-17-12-3-1-2-7-16-12/h4-5,9,12H,1-3,6-8H2
InChIKeyPNPXKQOUUUIQPI-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.15
Rot. Bonds4

About 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one

5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one (PubChem CID 172614475) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
PubChem CID172614475
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCOC1CCCCO1
InChIInChI=1S/C12H16BrNO3/c13-10-4-5-11(15)14(9-10)6-8-17-12-3-1-2-7-16-12/h4-5,9,12H,1-3,6-8H2
InChIKeyPNPXKQOUUUIQPI-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
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5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
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1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
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1-[2-(oxan-2-yloxy)ethyl]-3H-indol-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one (CID 172614475) is 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one is O=c1ccc(Br)cn1CCOC1CCCCO1.
What is the InChIKey of 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one?
The InChIKey is PNPXKQOUUUIQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c13-10-4-5-11(15)14(9-10)6-8-17-12-3-1-2-7-16-12/h4-5,9,12H,1-3,6-8H2.
What are the key properties of 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one?
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one has a molecular weight of 302.17 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one is sourced from PubChem (CID 172614475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).