5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one

C13H13BrN2O — CID 79355957

IUPAC5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(=O)n(Cc2ccc(Br)cc2)cc1N
InChIInChI=1S/C13H13BrN2O/c1-9-6-13(17)16(8-12(9)15)7-10-2-4-11(14)5-3-10/h2-6,8H,7,15H2,1H3
InChIKeySRBMXWIGJHKWQM-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.55
Rot. Bonds2

About 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one

5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one (PubChem CID 79355957) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one
PubChem CID79355957
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(=O)n(Cc2ccc(Br)cc2)cc1N
InChIInChI=1S/C13H13BrN2O/c1-9-6-13(17)16(8-12(9)15)7-10-2-4-11(14)5-3-10/h2-6,8H,7,15H2,1H3
InChIKeySRBMXWIGJHKWQM-UHFFFAOYSA-N
XLogP2.55
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one (CID 79355957) is 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one is Cc1cc(=O)n(Cc2ccc(Br)cc2)cc1N.
What is the InChIKey of 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is SRBMXWIGJHKWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-6-13(17)16(8-12(9)15)7-10-2-4-11(14)5-3-10/h2-6,8H,7,15H2,1H3.
What are the key properties of 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one?
5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 293.16 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 79355957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).