5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one

C13H13BrN2O — CID 68856591

IUPAC5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one
SMILESCc1c(N)cccc1-c1c[nH]c(=O)c(Br)c1C
InChIInChI=1S/C13H13BrN2O/c1-7-9(4-3-5-11(7)15)10-6-16-13(17)12(14)8(10)2/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyJOENLZSIYWEVFO-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.00
Rot. Bonds1

About 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one

5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one (PubChem CID 68856591) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one
PubChem CID68856591
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one
SMILESCc1c(N)cccc1-c1c[nH]c(=O)c(Br)c1C
InChIInChI=1S/C13H13BrN2O/c1-7-9(4-3-5-11(7)15)10-6-16-13(17)12(14)8(10)2/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyJOENLZSIYWEVFO-UHFFFAOYSA-N
XLogP3.00
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one (CID 68856591) is 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one is Cc1c(N)cccc1-c1c[nH]c(=O)c(Br)c1C.
What is the InChIKey of 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one?
The InChIKey is JOENLZSIYWEVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-7-9(4-3-5-11(7)15)10-6-16-13(17)12(14)8(10)2/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one?
5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one has a molecular weight of 293.16 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 68856591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).