5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one

C12H9BrClFN2O — CID 102855891

IUPAC5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H9BrClFN2O/c13-9-4-8(16)6-17(12(9)18)5-7-2-1-3-10(14)11(7)15/h1-4,6H,5,16H2
InChIKeyDMNKSTBWADZOKH-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.03
Rot. Bonds2

About 5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one

5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one (PubChem CID 102855891) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one
PubChem CID102855891
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H9BrClFN2O/c13-9-4-8(16)6-17(12(9)18)5-7-2-1-3-10(14)11(7)15/h1-4,6H,5,16H2
InChIKeyDMNKSTBWADZOKH-UHFFFAOYSA-N
XLogP3.03
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 53.03
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-[(2,5-difluorophenyl)methyl]pyridin-2-one
CID 80501995
3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one
CID 113411879
5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
CID 80501773
5-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyrrole-3-carboxylic acid
CID 102856354
5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 113365829
5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one
CID 80501741
4-[(5-amino-3-bromo-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 80501886
5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102858179
4-[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 102855873
5-[(5-amino-3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzonitrile
CID 107880903
3-[(3-amino-2-fluorophenyl)methyl]-5-bromopyrimidin-4-one
CID 107347719

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one (CID 102855891) is 5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one is Nc1cc(Br)c(=O)n(Cc2cccc(Cl)c2F)c1.
What is the InChIKey of 5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is DMNKSTBWADZOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c13-9-4-8(16)6-17(12(9)18)5-7-2-1-3-10(14)11(7)15/h1-4,6H,5,16H2.
What are the key properties of 5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one?
5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 331.57 g/mol, XLogP of 3.03, 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-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 102855891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).