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

C13H12BrFN2O — CID 79356172

IUPAC5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(=O)n(Cc2ccc(Br)cc2F)cc1N
InChIInChI=1S/C13H12BrFN2O/c1-8-4-13(18)17(7-12(8)16)6-9-2-3-10(14)5-11(9)15/h2-5,7H,6,16H2,1H3
InChIKeyBUEUDGTVRYBYOG-UHFFFAOYSA-N
MW311.15 g/mol
LogP2.69
Rot. Bonds2

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

5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one (PubChem CID 79356172) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one
PubChem CID79356172
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(=O)n(Cc2ccc(Br)cc2F)cc1N
InChIInChI=1S/C13H12BrFN2O/c1-8-4-13(18)17(7-12(8)16)6-9-2-3-10(14)5-11(9)15/h2-5,7H,6,16H2,1H3
InChIKeyBUEUDGTVRYBYOG-UHFFFAOYSA-N
XLogP2.69
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one
CID 79355957
5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one
CID 114930189
1-[(5-bromo-2-fluorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
CID 79784539
5-amino-1-[(3-bromo-5-fluorophenyl)methyl]-4-methylpyridin-2-one
CID 79710365
1-[(4-amino-2-fluorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130711
1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyrazine-2,3-dione
CID 55127512
5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 79355018
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
1-[(2-amino-4-chlorophenyl)methyl]-5-bromopyridin-2-one
CID 55036985
1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione
CID 114380613
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 83133649
6-amino-3-[(4-bromo-2-fluorophenyl)methyl]quinazolin-4-one
CID 43447734

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one (CID 79356172) is 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one is Cc1cc(=O)n(Cc2ccc(Br)cc2F)cc1N.
What is the InChIKey of 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is BUEUDGTVRYBYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-8-4-13(18)17(7-12(8)16)6-9-2-3-10(14)5-11(9)15/h2-5,7H,6,16H2,1H3.
What are the key properties of 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one?
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 311.15 g/mol, XLogP of 2.69, 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-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 79356172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).