3-bromo-1-(2-hydroxyethyl)pyridin-2-one

C7H8BrNO2 — CID 82147122

IUPAC3-bromo-1-(2-hydroxyethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CCO
InChIInChI=1S/C7H8BrNO2/c8-6-2-1-3-9(4-5-10)7(6)11/h1-3,10H,4-5H2
InChIKeyOTIHOQRZEZNRMZ-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.60
Rot. Bonds2

About 3-bromo-1-(2-hydroxyethyl)pyridin-2-one

3-bromo-1-(2-hydroxyethyl)pyridin-2-one (PubChem CID 82147122) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 3-bromo-1-(2-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2-hydroxyethyl)pyridin-2-one
PubChem CID82147122
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name3-bromo-1-(2-hydroxyethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CCO
InChIInChI=1S/C7H8BrNO2/c8-6-2-1-3-9(4-5-10)7(6)11/h1-3,10H,4-5H2
InChIKeyOTIHOQRZEZNRMZ-UHFFFAOYSA-N
XLogP0.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-hydroxyethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2-hydroxyethyl)pyridin-2-one (CID 82147122) is 3-bromo-1-(2-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2-hydroxyethyl)pyridin-2-one is O=c1c(Br)cccn1CCO.
What is the InChIKey of 3-bromo-1-(2-hydroxyethyl)pyridin-2-one?
The InChIKey is OTIHOQRZEZNRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c8-6-2-1-3-9(4-5-10)7(6)11/h1-3,10H,4-5H2.
What are the key properties of 3-bromo-1-(2-hydroxyethyl)pyridin-2-one?
3-bromo-1-(2-hydroxyethyl)pyridin-2-one has a molecular weight of 218.05 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 82147122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).