5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one

C13H12F2N2O — CID 114930189

IUPAC5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(=O)n(Cc2c(F)cccc2F)cc1N
InChIInChI=1S/C13H12F2N2O/c1-8-5-13(18)17(7-12(8)16)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6,16H2,1H3
InChIKeyMVTINCQZTCEHAC-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.07
Rot. Bonds2

About 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one

5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one (PubChem CID 114930189) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one
PubChem CID114930189
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(=O)n(Cc2c(F)cccc2F)cc1N
InChIInChI=1S/C13H12F2N2O/c1-8-5-13(18)17(7-12(8)16)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6,16H2,1H3
InChIKeyMVTINCQZTCEHAC-UHFFFAOYSA-N
XLogP2.07
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one (CID 114930189) is 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one is Cc1cc(=O)n(Cc2c(F)cccc2F)cc1N.
What is the InChIKey of 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is MVTINCQZTCEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8-5-13(18)17(7-12(8)16)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6,16H2,1H3.
What are the key properties of 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one?
5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 250.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 114930189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).