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

C11H16BrNO — CID 82930788

IUPAC5-bromo-1-(2-ethylbutyl)pyridin-2-one
SMILESCCC(CC)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H16BrNO/c1-3-9(4-2)7-13-8-10(12)5-6-11(13)14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyYQBDXECDWXJCOA-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.05
Rot. Bonds4

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

5-bromo-1-(2-ethylbutyl)pyridin-2-one (PubChem CID 82930788) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-1-(2-ethylbutyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-ethylbutyl)pyridin-2-one
PubChem CID82930788
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name5-bromo-1-(2-ethylbutyl)pyridin-2-one
SMILESCCC(CC)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H16BrNO/c1-3-9(4-2)7-13-8-10(12)5-6-11(13)14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyYQBDXECDWXJCOA-UHFFFAOYSA-N
XLogP3.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-ethylbutyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(2-ethylbutyl)pyridin-2-one (CID 82930788) is 5-bromo-1-(2-ethylbutyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2-ethylbutyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(2-ethylbutyl)pyridin-2-one is CCC(CC)Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-(2-ethylbutyl)pyridin-2-one?
The InChIKey is YQBDXECDWXJCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-9(4-2)7-13-8-10(12)5-6-11(13)14/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-1-(2-ethylbutyl)pyridin-2-one?
5-bromo-1-(2-ethylbutyl)pyridin-2-one has a molecular weight of 258.16 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-ethylbutyl)pyridin-2-one is sourced from PubChem (CID 82930788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).