3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one

C12H10Br2N2O — CID 103961993

IUPAC3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one
SMILESNc1cn(Cc2ccc(Br)cc2)cc(Br)c1=O
InChIInChI=1S/C12H10Br2N2O/c13-9-3-1-8(2-4-9)5-16-6-10(14)12(17)11(15)7-16/h1-4,6-7H,5,15H2
InChIKeyBOEYBFKNCUSRLH-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.00
Rot. Bonds2

About 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one

3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one (PubChem CID 103961993) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one
PubChem CID103961993
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one
SMILESNc1cn(Cc2ccc(Br)cc2)cc(Br)c1=O
InChIInChI=1S/C12H10Br2N2O/c13-9-3-1-8(2-4-9)5-16-6-10(14)12(17)11(15)7-16/h1-4,6-7H,5,15H2
InChIKeyBOEYBFKNCUSRLH-UHFFFAOYSA-N
XLogP3.00
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-bromo-1-[(4-tert-butylphenyl)methyl]pyridin-4-one
CID 103962029
2-(3-amino-5-bromo-4-oxo-1-pyridinyl)acetonitrile
CID 103961925
3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one
CID 113359293
3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one
CID 103962025
5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one
CID 79355957
3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one
CID 103961883
methyl 2-[2-[(3-amino-5-bromo-4-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 103961879
3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one
CID 103962008
3-amino-5-bromo-1-(2-phenylsulfanylethyl)pyridin-4-one
CID 103961886
5-bromo-1-[(4-cyanophenyl)methyl]-4-oxopyridine-3-carboxylic acid
CID 86711541
3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 103962037
4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile
CID 103961795

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one (CID 103961993) is 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one is Nc1cn(Cc2ccc(Br)cc2)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one?
The InChIKey is BOEYBFKNCUSRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c13-9-3-1-8(2-4-9)5-16-6-10(14)12(17)11(15)7-16/h1-4,6-7H,5,15H2.
What are the key properties of 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one?
3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one has a molecular weight of 358.03 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 103961993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).