3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one

C16H14ClF2NO2 — CID 22050365

IUPAC3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C16H14ClF2NO2/c1-3-6-20-10(2)7-14(15(17)16(20)21)22-9-11-4-5-12(18)8-13(11)19/h3-5,7-8H,1,6,9H2,2H3
InChIKeyOZTIEYVIJFYHFV-UHFFFAOYSA-N
MW325.74 g/mol
LogP3.85
Rot. Bonds5

About 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one

3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one (PubChem CID 22050365) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one
PubChem CID22050365
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C16H14ClF2NO2/c1-3-6-20-10(2)7-14(15(17)16(20)21)22-9-11-4-5-12(18)8-13(11)19/h3-5,7-8H,1,6,9H2,2H3
InChIKeyOZTIEYVIJFYHFV-UHFFFAOYSA-N
XLogP3.85
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)-2H-pyran-2-one
CID 2805958
4-Phenylmethoxy-1-prop-2-ynylpyridin-2-one
CID 44449560
3-Fluoro-1,6-dimethyl-4-(2-phenylpropoxy)pyridin-2-one
CID 178296746
4-[2-(3-Fluorophenyl)propoxy]-1,6-dimethylpyridin-2-one
CID 178300723
1-(Difluoromethyl)-4-phenylmethoxypyridin-2-one
CID 22050879
4-[(4-Fluorophenyl)methoxy]-1-methylpyridin-2-one
CID 70697683
3-Chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one
CID 5235867
1-Cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one
CID 11382435
3-Chloro-4-(2,4-difluorobenzyloxy)-1-(3-fluorobenzyl)-1H-pyridin-2-one
CID 11474454
Methyl (2E)-4-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]but-2-enoate
CID 21035375
1-allyl-3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22049959
(2e)-4-[3-Bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2h)-yl]but-2-enoic acid
CID 22049971

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one?
The IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one (CID 22050365) is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one?
The canonical SMILES for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one is C=CCn1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one?
The InChIKey is OZTIEYVIJFYHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c1-3-6-20-10(2)7-14(15(17)16(20)21)22-9-11-4-5-12(18)8-13(11)19/h3-5,7-8H,1,6,9H2,2H3.
What are the key properties of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one?
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one has a molecular weight of 325.74 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one is sourced from PubChem (CID 22050365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).