5-bromo-1-(5-hydroxypentyl)pyridin-2-one

C10H14BrNO2 — CID 62229538

IUPAC5-bromo-1-(5-hydroxypentyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCCCCO
InChIInChI=1S/C10H14BrNO2/c11-9-4-5-10(14)12(8-9)6-2-1-3-7-13/h4-5,8,13H,1-3,6-7H2
InChIKeyMWXYLMVODHQLKY-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.77
Rot. Bonds5

About 5-bromo-1-(5-hydroxypentyl)pyridin-2-one

5-bromo-1-(5-hydroxypentyl)pyridin-2-one (PubChem CID 62229538) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-1-(5-hydroxypentyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(5-hydroxypentyl)pyridin-2-one
PubChem CID62229538
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name5-bromo-1-(5-hydroxypentyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCCCCO
InChIInChI=1S/C10H14BrNO2/c11-9-4-5-10(14)12(8-9)6-2-1-3-7-13/h4-5,8,13H,1-3,6-7H2
InChIKeyMWXYLMVODHQLKY-UHFFFAOYSA-N
XLogP1.77
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(5-hydroxypentyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(5-hydroxypentyl)pyridin-2-one (CID 62229538) is 5-bromo-1-(5-hydroxypentyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(5-hydroxypentyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(5-hydroxypentyl)pyridin-2-one is O=c1ccc(Br)cn1CCCCCO.
What is the InChIKey of 5-bromo-1-(5-hydroxypentyl)pyridin-2-one?
The InChIKey is MWXYLMVODHQLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c11-9-4-5-10(14)12(8-9)6-2-1-3-7-13/h4-5,8,13H,1-3,6-7H2.
What are the key properties of 5-bromo-1-(5-hydroxypentyl)pyridin-2-one?
5-bromo-1-(5-hydroxypentyl)pyridin-2-one has a molecular weight of 260.13 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(5-hydroxypentyl)pyridin-2-one is sourced from PubChem (CID 62229538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).