6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one

C12H11FN2O — CID 167525828

IUPAC6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one
SMILESCn1c(-c2ccc(N)cc2F)cccc1=O
InChIInChI=1S/C12H11FN2O/c1-15-11(3-2-4-12(15)16)9-6-5-8(14)7-10(9)13/h2-7H,14H2,1H3
InChIKeyNMKLJYLKMHOMQL-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.77
Rot. Bonds1

About 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one

6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one (PubChem CID 167525828) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one
PubChem CID167525828
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one
SMILESCn1c(-c2ccc(N)cc2F)cccc1=O
InChIInChI=1S/C12H11FN2O/c1-15-11(3-2-4-12(15)16)9-6-5-8(14)7-10(9)13/h2-7H,14H2,1H3
InChIKeyNMKLJYLKMHOMQL-UHFFFAOYSA-N
XLogP1.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one?
The IUPAC name of 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one (CID 167525828) is 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one is Cn1c(-c2ccc(N)cc2F)cccc1=O.
What is the InChIKey of 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one?
The InChIKey is NMKLJYLKMHOMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-15-11(3-2-4-12(15)16)9-6-5-8(14)7-10(9)13/h2-7H,14H2,1H3.
What are the key properties of 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one?
6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one has a molecular weight of 218.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-fluorophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 167525828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).