3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one

C12H8ClF2NO2 — CID 22049978

IUPAC3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(OCc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C12H8ClF2NO2/c13-11-10(3-4-16-12(11)17)18-6-7-1-2-8(14)5-9(7)15/h1-5H,6H2,(H,16,17)
InChIKeyMNOLWBVYFNUGSX-UHFFFAOYSA-N
MW271.65 g/mol
LogP2.89
Rot. Bonds3

About 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one

3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one (PubChem CID 22049978) has the molecular formula C12H8ClF2NO2 and a molecular weight of 271.65 g/mol. Its IUPAC name is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one
PubChem CID22049978
Molecular FormulaC12H8ClF2NO2
Molecular Weight271.65 g/mol
Exact Mass271.02
IUPAC Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(OCc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C12H8ClF2NO2/c13-11-10(3-4-16-12(11)17)18-6-7-1-2-8(14)5-9(7)15/h1-5H,6H2,(H,16,17)
InChIKeyMNOLWBVYFNUGSX-UHFFFAOYSA-N
XLogP2.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyloxy-2(1H)-pyridone
CID 3607724
4-(4-Fluorobenzyloxy)-1h-pyridin-2-one
CID 22049900
1-(Difluoromethyl)-4-phenylmethoxypyridin-2-one
CID 22050879
3-(Benzyloxy)pyridin-2-ol
CID 15666452
4-[(3-Chlorophenyl)methoxy]-2(1H)-pyridinone
CID 89690554
4-[(4-Fluorophenyl)methoxy]-1-methylpyridin-2-one
CID 70697683
3-Chloro-4-(2,4-difluorobenzyloxy)-1-(3-fluorobenzyl)-1H-pyridin-2-one
CID 11474454
3-Chloro-4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050279
3-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one
CID 22050365
4-(2,4-difluorobenzyloxy)-1H-pyridin-2-one
CID 22050390
3-bromo-4-(4-fluorobenzyloxy)-1H-pyridin-2-one
CID 22050579
3-bromo-4-(2,4-difluorobenzyloxy)-1H-pyridin-2-one
CID 22050832

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one (CID 22049978) is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one is O=c1[nH]ccc(OCc2ccc(F)cc2F)c1Cl.
What is the InChIKey of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
The InChIKey is MNOLWBVYFNUGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO2/c13-11-10(3-4-16-12(11)17)18-6-7-1-2-8(14)5-9(7)15/h1-5H,6H2,(H,16,17).
What are the key properties of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one has a molecular weight of 271.65 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 22049978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).