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

C14H12F2N2O — CID 121275578

IUPAC1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one
SMILES[H]/N=C(/Cn1cccc(C)c1=O)c1ccc(F)c(F)c1
InChIInChI=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-
InChIKeyFEALEVYGKDCVGW-LGMDPLHJSA-N
MW262.26 g/mol
LogP2.50
Rot. Bonds3

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 Name1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one
PubChem CID121275578
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name1-[2-(3,4-difluorophenyl)-2-iminoethyl]-3-methylpyridin-2-one
SMILES[H]/N=C(/Cn1cccc(C)c1=O)c1ccc(F)c(F)c1
InChIInChI=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-
InChIKeyFEALEVYGKDCVGW-LGMDPLHJSA-N
XLogP2.50
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.50
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 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).