5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one

C12H9BrCl2N2O — CID 80501773

IUPAC5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H9BrCl2N2O/c13-9-4-8(16)6-17(12(9)18)5-7-1-2-10(14)11(15)3-7/h1-4,6H,5,16H2
InChIKeyBHAMPYFVYAFHCF-UHFFFAOYSA-N
MW348.03 g/mol
LogP3.55
Rot. Bonds2

About 5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one

5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one (PubChem CID 80501773) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
PubChem CID80501773
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC Name5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H9BrCl2N2O/c13-9-4-8(16)6-17(12(9)18)5-7-1-2-10(14)11(15)3-7/h1-4,6H,5,16H2
InChIKeyBHAMPYFVYAFHCF-UHFFFAOYSA-N
XLogP3.55
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one (CID 80501773) is 5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one is Nc1cc(Br)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one?
The InChIKey is BHAMPYFVYAFHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c13-9-4-8(16)6-17(12(9)18)5-7-1-2-10(14)11(15)3-7/h1-4,6H,5,16H2.
What are the key properties of 5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one?
5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one has a molecular weight of 348.03 g/mol, XLogP of 3.55, 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-[(3,4-dichlorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 80501773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).