5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one

C12H11Br2N3O — CID 104797243

IUPAC5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
SMILESCc1c(N)cn(Cc2ccc(Br)cn2)c(=O)c1Br
InChIInChI=1S/C12H11Br2N3O/c1-7-10(15)6-17(12(18)11(7)14)5-9-3-2-8(13)4-16-9/h2-4,6H,5,15H2,1H3
InChIKeyQLKQPKLRRYIJDD-UHFFFAOYSA-N
MW373.05 g/mol
LogP2.71
Rot. Bonds2

About 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one

5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one (PubChem CID 104797243) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
PubChem CID104797243
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
SMILESCc1c(N)cn(Cc2ccc(Br)cn2)c(=O)c1Br
InChIInChI=1S/C12H11Br2N3O/c1-7-10(15)6-17(12(18)11(7)14)5-9-3-2-8(13)4-16-9/h2-4,6H,5,15H2,1H3
InChIKeyQLKQPKLRRYIJDD-UHFFFAOYSA-N
XLogP2.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104505852
5-amino-3-bromo-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505889
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
CID 104505797
5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one
CID 104505818
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 104505641
5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 104505773
3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one
CID 114583198
5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpyridin-2-one
CID 104505777
4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
CID 114480903
5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 104505753
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one (CID 104797243) is 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one is Cc1c(N)cn(Cc2ccc(Br)cn2)c(=O)c1Br.
What is the InChIKey of 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one?
The InChIKey is QLKQPKLRRYIJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-7-10(15)6-17(12(18)11(7)14)5-9-3-2-8(13)4-16-9/h2-4,6H,5,15H2,1H3.
What are the key properties of 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one?
5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one has a molecular weight of 373.05 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 104797243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).