5-bromo-4-(ethylamino)-1-methylpyridin-2-one

C8H11BrN2O — CID 90026986

IUPAC5-bromo-4-(ethylamino)-1-methylpyridin-2-one
SMILESCCNc1cc(=O)n(C)cc1Br
InChIInChI=1S/C8H11BrN2O/c1-3-10-7-4-8(12)11(2)5-6(7)9/h4-5,10H,3H2,1-2H3
InChIKeySWFBFEWSZDLVBL-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.58
Rot. Bonds2

About 5-bromo-4-(ethylamino)-1-methylpyridin-2-one

5-bromo-4-(ethylamino)-1-methylpyridin-2-one (PubChem CID 90026986) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-4-(ethylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-(ethylamino)-1-methylpyridin-2-one
PubChem CID90026986
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5-bromo-4-(ethylamino)-1-methylpyridin-2-one
SMILESCCNc1cc(=O)n(C)cc1Br
InChIInChI=1S/C8H11BrN2O/c1-3-10-7-4-8(12)11(2)5-6(7)9/h4-5,10H,3H2,1-2H3
InChIKeySWFBFEWSZDLVBL-UHFFFAOYSA-N
XLogP1.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(ethylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-4-(ethylamino)-1-methylpyridin-2-one (CID 90026986) is 5-bromo-4-(ethylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-4-(ethylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-4-(ethylamino)-1-methylpyridin-2-one is CCNc1cc(=O)n(C)cc1Br.
What is the InChIKey of 5-bromo-4-(ethylamino)-1-methylpyridin-2-one?
The InChIKey is SWFBFEWSZDLVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-3-10-7-4-8(12)11(2)5-6(7)9/h4-5,10H,3H2,1-2H3.
What are the key properties of 5-bromo-4-(ethylamino)-1-methylpyridin-2-one?
5-bromo-4-(ethylamino)-1-methylpyridin-2-one has a molecular weight of 231.09 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(ethylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 90026986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).