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

C13H10ClF2NO2 — CID 22051050

IUPAC3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C13H10ClF2NO2/c1-7-4-11(12(14)13(18)17-7)19-6-8-2-3-9(15)5-10(8)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyUHGWQUIOJQSKCY-UHFFFAOYSA-N
MW285.68 g/mol
LogP3.19
Rot. Bonds3

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

3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one (PubChem CID 22051050) has the molecular formula C13H10ClF2NO2 and a molecular weight of 285.68 g/mol. Its IUPAC name is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one
PubChem CID22051050
Molecular FormulaC13H10ClF2NO2
Molecular Weight285.68 g/mol
Exact Mass285.04
IUPAC Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C13H10ClF2NO2/c1-7-4-11(12(14)13(18)17-7)19-6-8-2-3-9(15)5-10(8)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyUHGWQUIOJQSKCY-UHFFFAOYSA-N
XLogP3.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorobenzyloxy)-1h-pyridin-2-one
CID 22049900
4-[2-(3-fluorophenyl)propoxy]-6-methyl-1H-pyridin-2-one
CID 178299302
3-fluoro-6-methyl-4-(2-phenylpropoxy)-1H-pyridin-2-one
CID 178300162
6-nonyl-4-phenylmethoxy-1H-pyridin-2-one
CID 178310753
3-Chloro-4-(2,4-difluorobenzyloxy)-1H-pyridin-2-one
CID 22049978
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-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22050429
1-allyl-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22051008
2(1H)-Pyridinone, 4-[(2,4-difluorophenyl)methoxy]-6-methyl-
CID 22051141
4-[(2-fluorophenyl)methoxy]-1H-pyridin-2-one
CID 69084180
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1H-pyridin-2-one
CID 69805285

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one (CID 22051050) is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)[nH]1.
What is the InChIKey of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one?
The InChIKey is UHGWQUIOJQSKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2/c1-7-4-11(12(14)13(18)17-7)19-6-8-2-3-9(15)5-10(8)16/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one?
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one has a molecular weight of 285.68 g/mol, XLogP of 3.19, 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]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 22051050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).