6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one

C13H11FN2O2 — CID 176701045

IUPAC6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one
SMILESC=Nc1ccc(F)cc1OCc1cccc(=O)[nH]1
InChIInChI=1S/C13H11FN2O2/c1-15-11-6-5-9(14)7-12(11)18-8-10-3-2-4-13(17)16-10/h2-7H,1,8H2,(H,16,17)
InChIKeyPXNPARSEQHSFBT-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.43
Rot. Bonds4

About 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one

6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one (PubChem CID 176701045) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one
PubChem CID176701045
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one
SMILESC=Nc1ccc(F)cc1OCc1cccc(=O)[nH]1
InChIInChI=1S/C13H11FN2O2/c1-15-11-6-5-9(14)7-12(11)18-8-10-3-2-4-13(17)16-10/h2-7H,1,8H2,(H,16,17)
InChIKeyPXNPARSEQHSFBT-UHFFFAOYSA-N
XLogP2.43
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one (CID 176701045) is 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one is C=Nc1ccc(F)cc1OCc1cccc(=O)[nH]1.
What is the InChIKey of 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one?
The InChIKey is PXNPARSEQHSFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-15-11-6-5-9(14)7-12(11)18-8-10-3-2-4-13(17)16-10/h2-7H,1,8H2,(H,16,17).
What are the key properties of 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one?
6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one has a molecular weight of 246.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 176701045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).