5-bromo-1-hexylpyridin-2-one

C11H16BrNO — CID 60773195

IUPAC5-bromo-1-hexylpyridin-2-one
SMILESCCCCCCn1cc(Br)ccc1=O
InChIInChI=1S/C11H16BrNO/c1-2-3-4-5-8-13-9-10(12)6-7-11(13)14/h6-7,9H,2-5,8H2,1H3
InChIKeyJGKHUTQCLPBGAG-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.19
Rot. Bonds5

About 5-bromo-1-hexylpyridin-2-one

5-bromo-1-hexylpyridin-2-one (PubChem CID 60773195) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-1-hexylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-hexylpyridin-2-one
PubChem CID60773195
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name5-bromo-1-hexylpyridin-2-one
SMILESCCCCCCn1cc(Br)ccc1=O
InChIInChI=1S/C11H16BrNO/c1-2-3-4-5-8-13-9-10(12)6-7-11(13)14/h6-7,9H,2-5,8H2,1H3
InChIKeyJGKHUTQCLPBGAG-UHFFFAOYSA-N
XLogP3.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-hexylpyridin-2-one?
The IUPAC name of 5-bromo-1-hexylpyridin-2-one (CID 60773195) is 5-bromo-1-hexylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-hexylpyridin-2-one?
The canonical SMILES for 5-bromo-1-hexylpyridin-2-one is CCCCCCn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-hexylpyridin-2-one?
The InChIKey is JGKHUTQCLPBGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-3-4-5-8-13-9-10(12)6-7-11(13)14/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 5-bromo-1-hexylpyridin-2-one?
5-bromo-1-hexylpyridin-2-one has a molecular weight of 258.16 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-hexylpyridin-2-one is sourced from PubChem (CID 60773195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).