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

C14H13F2NO2 — CID 70955592

IUPAC4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C14H13F2NO2/c1-8-5-13(9(2)14(18)17-8)19-7-10-3-4-11(15)6-12(10)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyBQLCNMANZBUFMH-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.85
Rot. Bonds3

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

4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one (PubChem CID 70955592) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one
PubChem CID70955592
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C14H13F2NO2/c1-8-5-13(9(2)14(18)17-8)19-7-10-3-4-11(15)6-12(10)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyBQLCNMANZBUFMH-UHFFFAOYSA-N
XLogP2.85
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one (CID 70955592) is 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(C)c(=O)[nH]1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one?
The InChIKey is BQLCNMANZBUFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-8-5-13(9(2)14(18)17-8)19-7-10-3-4-11(15)6-12(10)16/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one has a molecular weight of 265.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 70955592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).