5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one

C12H9BrF2N2O — CID 80501995

IUPAC5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(Cc2cc(F)ccc2F)c1
InChIInChI=1S/C12H9BrF2N2O/c13-10-4-9(16)6-17(12(10)18)5-7-3-8(14)1-2-11(7)15/h1-4,6H,5,16H2
InChIKeyGCAJOXMTIAKOQN-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.52
Rot. Bonds2

About 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one

5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one (PubChem CID 80501995) has the molecular formula C12H9BrF2N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one
PubChem CID80501995
Molecular FormulaC12H9BrF2N2O
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(Cc2cc(F)ccc2F)c1
InChIInChI=1S/C12H9BrF2N2O/c13-10-4-9(16)6-17(12(10)18)5-7-3-8(14)1-2-11(7)15/h1-4,6H,5,16H2
InChIKeyGCAJOXMTIAKOQN-UHFFFAOYSA-N
XLogP2.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 103046554
5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one
CID 80501741
5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 102855891
5-[(5-amino-3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzonitrile
CID 107880903
5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 113365829
5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 63801141
5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
CID 80501773
1-[(4-amino-2-fluorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130711
1-[(2,5-difluorophenyl)methyl]-5-iodopyridin-2-one
CID 79785122
4-[(5-amino-3-bromo-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 80501886
1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
CID 95917593
3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one
CID 115659281

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one (CID 80501995) is 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one is Nc1cc(Br)c(=O)n(Cc2cc(F)ccc2F)c1.
What is the InChIKey of 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one?
The InChIKey is GCAJOXMTIAKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O/c13-10-4-9(16)6-17(12(10)18)5-7-3-8(14)1-2-11(7)15/h1-4,6H,5,16H2.
What are the key properties of 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one?
5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one has a molecular weight of 315.12 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 80501995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).