5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one

C10H15BrN2O — CID 83130817

IUPAC5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one
SMILESCCNCCn1cc(Br)cc(C)c1=O
InChIInChI=1S/C10H15BrN2O/c1-3-12-4-5-13-7-9(11)6-8(2)10(13)14/h6-7,12H,3-5H2,1-2H3
InChIKeyYLPLGWWZQDRRCD-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.53
Rot. Bonds4

About 5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one

5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one (PubChem CID 83130817) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one
PubChem CID83130817
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one
SMILESCCNCCn1cc(Br)cc(C)c1=O
InChIInChI=1S/C10H15BrN2O/c1-3-12-4-5-13-7-9(11)6-8(2)10(13)14/h6-7,12H,3-5H2,1-2H3
InChIKeyYLPLGWWZQDRRCD-UHFFFAOYSA-N
XLogP1.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.53
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-[2-(ethylamino)ethyl]-3-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one (CID 83130817) is 5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one is CCNCCn1cc(Br)cc(C)c1=O.
What is the InChIKey of 5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one?
The InChIKey is YLPLGWWZQDRRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-3-12-4-5-13-7-9(11)6-8(2)10(13)14/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one?
5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one has a molecular weight of 259.15 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 83130817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).