5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one

C17H28FNO — CID 129093730

IUPAC5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one
SMILESCCCCCCC(C)(CCCC)c1cc(F)c[nH]c1=O
InChIInChI=1S/C17H28FNO/c1-4-6-8-9-11-17(3,10-7-5-2)15-12-14(18)13-19-16(15)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyPGUSEBUPROEEKP-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.93
Rot. Bonds9

About 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one

5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one (PubChem CID 129093730) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one
PubChem CID129093730
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one
SMILESCCCCCCC(C)(CCCC)c1cc(F)c[nH]c1=O
InChIInChI=1S/C17H28FNO/c1-4-6-8-9-11-17(3,10-7-5-2)15-12-14(18)13-19-16(15)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyPGUSEBUPROEEKP-UHFFFAOYSA-N
XLogP4.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Cyclohexyl-3-Propyl-1h-Pyridin-2-One
CID 91754991
Hexylpyridon
CID 18760458
Heptylpyridon
CID 21666919
Decylpyridon
CID 90885454
5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one
CID 70802318
4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide
CID 129054108
5-fluoro-3-(3-methylhexan-3-yl)-1H-pyridin-2-one
CID 129252845
5-Fluoro-1-methyl-3-octan-2-ylpyridin-2-one
CID 138525148
6-tert-butyl-8-fluoro-7,8-dihydro-2H-isoquinolin-1-one
CID 158384542
N-[(Z,5R)-5-fluoro-2-methylhept-3-enyl]-4,4-dimethyl-5-(3-methylbutyl)cyclohexene-1-carboxamide
CID 163774221
(5Z)-10-(1,1-difluoroethyl)-5-ethylidene-6,10-dimethyl-1,2,3,6,7,9-hexahydro-3-benzazonin-4-one
CID 170094998
3-(2-azaspiro[3.3]heptan-6-ylmethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 176324191

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one (CID 129093730) is 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one is CCCCCCC(C)(CCCC)c1cc(F)c[nH]c1=O.
What is the InChIKey of 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one?
The InChIKey is PGUSEBUPROEEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-4-6-8-9-11-17(3,10-7-5-2)15-12-14(18)13-19-16(15)20/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one?
5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one has a molecular weight of 281.41 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 129093730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).