3-(difluoromethoxy)-1-methylpyridin-2-one

C7H7F2NO2 — CID 135334628

IUPAC3-(difluoromethoxy)-1-methylpyridin-2-one
SMILESCn1cccc(OC(F)F)c1=O
InChIInChI=1S/C7H7F2NO2/c1-10-4-2-3-5(6(10)11)12-7(8)9/h2-4,7H,1H3
InChIKeyXAIGEFSGOIPZGL-UHFFFAOYSA-N
MW175.13 g/mol
LogP0.99
Rot. Bonds2

About 3-(difluoromethoxy)-1-methylpyridin-2-one

3-(difluoromethoxy)-1-methylpyridin-2-one (PubChem CID 135334628) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-methylpyridin-2-one
PubChem CID135334628
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name3-(difluoromethoxy)-1-methylpyridin-2-one
SMILESCn1cccc(OC(F)F)c1=O
InChIInChI=1S/C7H7F2NO2/c1-10-4-2-3-5(6(10)11)12-7(8)9/h2-4,7H,1H3
InChIKeyXAIGEFSGOIPZGL-UHFFFAOYSA-N
XLogP0.99
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxy-2-pyridone
CID 88731
1-[[Fluoro(dimethyl)silyl]methyl]-3-methoxypyridin-2-one
CID 10751179
3-(Difluoromethoxy)pyridin-2-ol
CID 66617507
5-Fluoro-3-methoxy-1-methylpyridin-2-one
CID 68092063
5-Bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
CID 118022074
5-Bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
CID 118022724
3-(Trifluoromethoxy)pyridin-2-OL
CID 130088832
5-fluoro-3-methoxy-1H-pyridin-2-one
CID 130840624
3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 140672179
(1-Methyl-2-oxo-3-pyridinyl) 2,2,2-trifluoroacetate
CID 162492721
1-Methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171100720
3-(Difluoromethoxy)-1-propan-2-ylpyridin-2-one
CID 171101017

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-methylpyridin-2-one?
The IUPAC name of 3-(difluoromethoxy)-1-methylpyridin-2-one (CID 135334628) is 3-(difluoromethoxy)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(difluoromethoxy)-1-methylpyridin-2-one?
The canonical SMILES for 3-(difluoromethoxy)-1-methylpyridin-2-one is Cn1cccc(OC(F)F)c1=O.
What is the InChIKey of 3-(difluoromethoxy)-1-methylpyridin-2-one?
The InChIKey is XAIGEFSGOIPZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-10-4-2-3-5(6(10)11)12-7(8)9/h2-4,7H,1H3.
What are the key properties of 3-(difluoromethoxy)-1-methylpyridin-2-one?
3-(difluoromethoxy)-1-methylpyridin-2-one has a molecular weight of 175.13 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-methylpyridin-2-one is sourced from PubChem (CID 135334628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).