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

C14H15F2NO2 — CID 143329589

IUPAC5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one
SMILESC=C(/C=C\C(O)=C/CC)n1cc(C(F)F)ccc1=O
InChIInChI=1S/C14H15F2NO2/c1-3-4-12(18)7-5-10(2)17-9-11(14(15)16)6-8-13(17)19/h4-9,14,18H,2-3H2,1H3/b7-5-,12-4+
InChIKeyNPLGSXFMYRGMMI-NIZDWENVSA-N
MW267.27 g/mol
LogP3.66
Rot. Bonds5

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

5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one (PubChem CID 143329589) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one
PubChem CID143329589
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one
SMILESC=C(/C=C\C(O)=C/CC)n1cc(C(F)F)ccc1=O
InChIInChI=1S/C14H15F2NO2/c1-3-4-12(18)7-5-10(2)17-9-11(14(15)16)6-8-13(17)19/h4-9,14,18H,2-3H2,1H3/b7-5-,12-4+
InChIKeyNPLGSXFMYRGMMI-NIZDWENVSA-N
XLogP3.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.66
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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Related Compounds

2,2,2-trifluoro-1-(7-hydroxy-3H-isoquinolin-2-yl)ethanone
CID 50919272
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-(fluoromethyl)-1-[(4Z,6E)-6-hydroxyocta-4,6-dien-1-yn-3-yl]pyridin-2-one
CID 143329584
1-(4-Hydroxycyclohepta-1,3,6-trien-1-yl)-5-(trifluoromethyl)pyridin-2-one
CID 143470860
1-[1-(Difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one
CID 169321680
(E)-3-methyl-4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]but-2-enoic acid
CID 55235943
(E)-4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]but-2-enoic acid
CID 63279570
3-Methyl-4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]but-2-enoic acid
CID 76217916
4-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]but-2-enoic acid
CID 76993603
2-Methyl-4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]but-2-enoic acid
CID 77074714

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one (CID 143329589) is 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one is C=C(/C=C\C(O)=C/CC)n1cc(C(F)F)ccc1=O.
What is the InChIKey of 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one?
The InChIKey is NPLGSXFMYRGMMI-NIZDWENVSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-3-4-12(18)7-5-10(2)17-9-11(14(15)16)6-8-13(17)19/h4-9,14,18H,2-3H2,1H3/b7-5-,12-4+.
What are the key properties of 5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one?
5-(difluoromethyl)-1-[(3Z,5E)-5-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one has a molecular weight of 267.27 g/mol, XLogP of 3.66, 5 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-hydroxyocta-1,3,5-trien-2-yl]pyridin-2-one is sourced from PubChem (CID 143329589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).