5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one

C11H16BrNO2 — CID 83133552

IUPAC5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CCCCCO)c1=O
InChIInChI=1S/C11H16BrNO2/c1-9-7-10(12)8-13(11(9)15)5-3-2-4-6-14/h7-8,14H,2-6H2,1H3
InChIKeyHNRDUZGODKCRGI-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.08
Rot. Bonds5

About 5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one

5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one (PubChem CID 83133552) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one
PubChem CID83133552
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CCCCCO)c1=O
InChIInChI=1S/C11H16BrNO2/c1-9-7-10(12)8-13(11(9)15)5-3-2-4-6-14/h7-8,14H,2-6H2,1H3
InChIKeyHNRDUZGODKCRGI-UHFFFAOYSA-N
XLogP2.08
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.08
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)-3-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one (CID 83133552) is 5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one is Cc1cc(Br)cn(CCCCCO)c1=O.
What is the InChIKey of 5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one?
The InChIKey is HNRDUZGODKCRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-9-7-10(12)8-13(11(9)15)5-3-2-4-6-14/h7-8,14H,2-6H2,1H3.
What are the key properties of 5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one?
5-bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one has a molecular weight of 274.16 g/mol, XLogP of 2.08, 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)-3-methylpyridin-2-one is sourced from PubChem (CID 83133552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).