1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone

C16H16FNO2 — CID 159211436

IUPAC1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone
SMILESC=C1C(C(C)=O)=CC(C)=C(c2ccccc2)N1OCF
InChIInChI=1S/C16H16FNO2/c1-11-9-15(13(3)19)12(2)18(20-10-17)16(11)14-7-5-4-6-8-14/h4-9H,2,10H2,1,3H3
InChIKeyKQNRLSYIYDDIOC-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.62
Rot. Bonds4

About 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone

1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone (PubChem CID 159211436) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone
PubChem CID159211436
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone
SMILESC=C1C(C(C)=O)=CC(C)=C(c2ccccc2)N1OCF
InChIInChI=1S/C16H16FNO2/c1-11-9-15(13(3)19)12(2)18(20-10-17)16(11)14-7-5-4-6-8-14/h4-9H,2,10H2,1,3H3
InChIKeyKQNRLSYIYDDIOC-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone (CID 159211436) is 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone is C=C1C(C(C)=O)=CC(C)=C(c2ccccc2)N1OCF.
What is the InChIKey of 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone?
The InChIKey is KQNRLSYIYDDIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-9-15(13(3)19)12(2)18(20-10-17)16(11)14-7-5-4-6-8-14/h4-9H,2,10H2,1,3H3.
What are the key properties of 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone?
1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone has a molecular weight of 273.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(fluoromethoxy)-5-methyl-2-methylidene-6-phenyl-3-pyridinyl]ethanone is sourced from PubChem (CID 159211436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).