5-bromo-1-(3-hydroxypropyl)pyridin-2-one

C8H10BrNO2 — CID 43509751

IUPAC5-bromo-1-(3-hydroxypropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCCO
InChIInChI=1S/C8H10BrNO2/c9-7-2-3-8(12)10(6-7)4-1-5-11/h2-3,6,11H,1,4-5H2
InChIKeyNARQQFXGXHMXBE-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.99
Rot. Bonds3

About 5-bromo-1-(3-hydroxypropyl)pyridin-2-one

5-bromo-1-(3-hydroxypropyl)pyridin-2-one (PubChem CID 43509751) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-1-(3-hydroxypropyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(3-hydroxypropyl)pyridin-2-one
PubChem CID43509751
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name5-bromo-1-(3-hydroxypropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCCO
InChIInChI=1S/C8H10BrNO2/c9-7-2-3-8(12)10(6-7)4-1-5-11/h2-3,6,11H,1,4-5H2
InChIKeyNARQQFXGXHMXBE-UHFFFAOYSA-N
XLogP0.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-hydroxypropyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(3-hydroxypropyl)pyridin-2-one (CID 43509751) is 5-bromo-1-(3-hydroxypropyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(3-hydroxypropyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(3-hydroxypropyl)pyridin-2-one is O=c1ccc(Br)cn1CCCO.
What is the InChIKey of 5-bromo-1-(3-hydroxypropyl)pyridin-2-one?
The InChIKey is NARQQFXGXHMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c9-7-2-3-8(12)10(6-7)4-1-5-11/h2-3,6,11H,1,4-5H2.
What are the key properties of 5-bromo-1-(3-hydroxypropyl)pyridin-2-one?
5-bromo-1-(3-hydroxypropyl)pyridin-2-one has a molecular weight of 232.08 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-hydroxypropyl)pyridin-2-one is sourced from PubChem (CID 43509751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).