3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one

C7H7F2NO2 — CID 143740836

IUPAC3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(OC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H7F2NO2/c1-4-2-3-5(6(11)10-4)12-7(8)9/h2-3,7H,1H3,(H,10,11)
InChIKeyWQUHRPXBJKKBKJ-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.28
Rot. Bonds2

About 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one

3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one (PubChem CID 143740836) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one
PubChem CID143740836
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(OC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H7F2NO2/c1-4-2-3-5(6(11)10-4)12-7(8)9/h2-3,7H,1H3,(H,10,11)
InChIKeyWQUHRPXBJKKBKJ-UHFFFAOYSA-N
XLogP1.28
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one (CID 143740836) is 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one is Cc1ccc(OC(F)F)c(=O)[nH]1.
What is the InChIKey of 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one?
The InChIKey is WQUHRPXBJKKBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-4-2-3-5(6(11)10-4)12-7(8)9/h2-3,7H,1H3,(H,10,11).
What are the key properties of 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one?
3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one has a molecular weight of 175.13 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 143740836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).