5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one

C13H15F2NO2 — CID 143329580

IUPAC5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one
SMILESC/C=C(\C=C/Cn1cc(C(F)F)ccc1=O)OC
InChIInChI=1S/C13H15F2NO2/c1-3-11(18-2)5-4-8-16-9-10(13(14)15)6-7-12(16)17/h3-7,9,13H,8H2,1-2H3/b5-4-,11-3+
InChIKeyJZUMVLUZEMSINP-NEPXUXLISA-N
MW255.26 g/mol
LogP2.89
Rot. Bonds5

About 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one

5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one (PubChem CID 143329580) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one
PubChem CID143329580
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one
SMILESC/C=C(\C=C/Cn1cc(C(F)F)ccc1=O)OC
InChIInChI=1S/C13H15F2NO2/c1-3-11(18-2)5-4-8-16-9-10(13(14)15)6-7-12(16)17/h3-7,9,13H,8H2,1-2H3/b5-4-,11-3+
InChIKeyJZUMVLUZEMSINP-NEPXUXLISA-N
XLogP2.89
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 58450202
CID 58450202
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one
CID 58450207
1-Methyl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-one
CID 58450389
Methyl 6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-3-carboxylate
CID 138039721
5-(Difluoromethyl)-1-(5-methoxycyclohepta-1,2,4,6-tetraen-1-yl)pyridin-2-one
CID 143329577
5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one
CID 143329581
5-(Difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one
CID 143329582
5-(1-Ethoxyethenyl)-3-fluoro-1-methylpyridin-2-one
CID 167221109
3-Fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one
CID 167395828
Methyl 1-(2,2-difluoroethyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 168030419
5-(Difluoromethoxy)-1-propan-2-ylpyridin-2-one
CID 171101190
7-Methoxy-2-methylisoquinolin-3-one
CID 12435502

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one (CID 143329580) is 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one is C/C=C(\C=C/Cn1cc(C(F)F)ccc1=O)OC.
What is the InChIKey of 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one?
The InChIKey is JZUMVLUZEMSINP-NEPXUXLISA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-3-11(18-2)5-4-8-16-9-10(13(14)15)6-7-12(16)17/h3-7,9,13H,8H2,1-2H3/b5-4-,11-3+.
What are the key properties of 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one?
5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one has a molecular weight of 255.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-[(2Z,4E)-4-methoxyhexa-2,4-dienyl]pyridin-2-one is sourced from PubChem (CID 143329580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).