1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one

C₁₄H₁₂F₂N₂O — CID 121275578

About 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one

1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one (PubChem CID 121275578) has the molecular formula C₁₄H₁₂F₂N₂O and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one
• PubChem CID: 121275578
• Molecular Formula: C₁₄H₁₂F₂N₂O
• Molecular Weight: 262.26 g/mol
• Exact Mass: 262.09
• IUPAC Name: 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one
• SMILES: [H]/N=C(/Cn1cccc(C)c1=O)c1ccc(F)c(F)c1
• InChI: InChI=1S/C14H12F2N2O/c1-9-3-2-6-18(14(9)19)8-13(17)10-4-5-11(15)12(16)7-10/h2-7,17H,8H2,1H3/b17-13-
• InChIKey: FEALEVYGKDCVGW-LGMDPLHJSA-N
• XLogP: 2.50
• TPSA: 45.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.26
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one?

The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one (CID 121275578) is 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one.

What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one?

The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one is [H]/N=C(/Cn1cccc(C)c1=O)c1ccc(F)c(F)c1.

What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one?

The InChIKey is FEALEVYGKDCVGW-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-9-3-2-6-18(14(9)19)8-13(17)10-4-5-11(15)12(16)7-10/h2-7,17H,8H2,1H3/b17-13-.

What are the key properties of 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one?

1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one has a molecular weight of 262.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 121275578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121275578 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.