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

C12H9BrF2N2O — CID 103962025

IUPAC3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one
SMILESNc1cn(Cc2cccc(F)c2F)cc(Br)c1=O
InChIInChI=1S/C12H9BrF2N2O/c13-8-5-17(6-10(16)12(8)18)4-7-2-1-3-9(14)11(7)15/h1-3,5-6H,4,16H2
InChIKeyIGYNOAAIFPBDPW-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.52
Rot. Bonds2

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

3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one (PubChem CID 103962025) has the molecular formula C12H9BrF2N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is 3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one
PubChem CID103962025
Molecular FormulaC12H9BrF2N2O
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one
SMILESNc1cn(Cc2cccc(F)c2F)cc(Br)c1=O
InChIInChI=1S/C12H9BrF2N2O/c13-8-5-17(6-10(16)12(8)18)4-7-2-1-3-9(14)11(7)15/h1-3,5-6H,4,16H2
InChIKeyIGYNOAAIFPBDPW-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one (CID 103962025) is 3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one is Nc1cn(Cc2cccc(F)c2F)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one?
The InChIKey is IGYNOAAIFPBDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O/c13-8-5-17(6-10(16)12(8)18)4-7-2-1-3-9(14)11(7)15/h1-3,5-6H,4,16H2.
What are the key properties of 3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one?
3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-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 3-amino-5-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 103962025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).