5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one

C13H15F2NO2 — CID 143329581

IUPAC5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one
SMILESC/C=C(O)\C=C/C(C)n1cc(C(F)F)ccc1=O
InChIInChI=1S/C13H15F2NO2/c1-3-11(17)6-4-9(2)16-8-10(13(14)15)5-7-12(16)18/h3-9,13,17H,1-2H3/b6-4-,11-3+
InChIKeyWCZFWUDVYBMKLM-TYTBFOFYSA-N
MW255.26 g/mol
LogP3.36
Rot. Bonds4

About 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one

5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one (PubChem CID 143329581) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one
PubChem CID143329581
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one
SMILESC/C=C(O)\C=C/C(C)n1cc(C(F)F)ccc1=O
InChIInChI=1S/C13H15F2NO2/c1-3-11(17)6-4-9(2)16-8-10(13(14)15)5-7-12(16)18/h3-9,13,17H,1-2H3/b6-4-,11-3+
InChIKeyWCZFWUDVYBMKLM-TYTBFOFYSA-N
XLogP3.36
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one (CID 143329581) is 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one is C/C=C(O)\C=C/C(C)n1cc(C(F)F)ccc1=O.
What is the InChIKey of 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one?
The InChIKey is WCZFWUDVYBMKLM-TYTBFOFYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-3-11(17)6-4-9(2)16-8-10(13(14)15)5-7-12(16)18/h3-9,13,17H,1-2H3/b6-4-,11-3+.
What are the key properties of 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one?
5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one has a molecular weight of 255.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyhepta-3,5-dien-2-yl]pyridin-2-one is sourced from PubChem (CID 143329581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).