5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one

C14H13F2NO2 — CID 143329582

IUPAC5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one
SMILESCOC1=CCC=C(n2cc(C(F)F)ccc2=O)C=C1
InChIInChI=1S/C14H13F2NO2/c1-19-12-4-2-3-11(6-7-12)17-9-10(14(15)16)5-8-13(17)18/h3-9,14H,2H2,1H3
InChIKeyLHWZHVJNCOGXDM-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.12
Rot. Bonds3

About 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one

5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one (PubChem CID 143329582) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one
PubChem CID143329582
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one
SMILESCOC1=CCC=C(n2cc(C(F)F)ccc2=O)C=C1
InChIInChI=1S/C14H13F2NO2/c1-19-12-4-2-3-11(6-7-12)17-9-10(14(15)16)5-8-13(17)18/h3-9,14H,2H2,1H3
InChIKeyLHWZHVJNCOGXDM-UHFFFAOYSA-N
XLogP3.12
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one (CID 143329582) is 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one is COC1=CCC=C(n2cc(C(F)F)ccc2=O)C=C1.
What is the InChIKey of 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one?
The InChIKey is LHWZHVJNCOGXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-19-12-4-2-3-11(6-7-12)17-9-10(14(15)16)5-8-13(17)18/h3-9,14H,2H2,1H3.
What are the key properties of 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one?
5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one has a molecular weight of 265.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)pyridin-2-one is sourced from PubChem (CID 143329582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).