1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one

C13H13FN2O — CID 107347649

IUPAC1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1cccc(N)c1F
InChIInChI=1S/C13H13FN2O/c1-9-4-2-7-12(17)16(9)8-10-5-3-6-11(15)13(10)14/h2-7H,8,15H2,1H3
InChIKeyHDFONLMMDTWLMG-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.93
Rot. Bonds2

About 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one

1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one (PubChem CID 107347649) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one
PubChem CID107347649
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1cccc(N)c1F
InChIInChI=1S/C13H13FN2O/c1-9-4-2-7-12(17)16(9)8-10-5-3-6-11(15)13(10)14/h2-7H,8,15H2,1H3
InChIKeyHDFONLMMDTWLMG-UHFFFAOYSA-N
XLogP1.93
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-amino-2-fluorophenyl)methyl]-5-bromo-4,6-dimethylpyrimidin-2-one
CID 107347742
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 107347736
1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320413
1-(2-bromoethyl)-6-methylpyridin-2-one
CID 60876418
1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 107347713
2-fluoro-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 107347654
3-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63579588
1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one
CID 60875855
3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 107347624
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluoroaniline
CID 107347257
5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 55213686

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one (CID 107347649) is 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1Cc1cccc(N)c1F.
What is the InChIKey of 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one?
The InChIKey is HDFONLMMDTWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-4-2-7-12(17)16(9)8-10-5-3-6-11(15)13(10)14/h2-7H,8,15H2,1H3.
What are the key properties of 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one?
1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one has a molecular weight of 232.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 107347649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).