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

C7H7F2NO2 — CID 126730864

IUPAC5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(OC(F)F)c[nH]c1=O
InChIInChI=1S/C7H7F2NO2/c1-4-2-5(12-7(8)9)3-10-6(4)11/h2-3,7H,1H3,(H,10,11)
InChIKeyFIHZXQPDHGFTRR-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.28
Rot. Bonds2

About 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one

5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one (PubChem CID 126730864) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one
PubChem CID126730864
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(OC(F)F)c[nH]c1=O
InChIInChI=1S/C7H7F2NO2/c1-4-2-5(12-7(8)9)3-10-6(4)11/h2-3,7H,1H3,(H,10,11)
InChIKeyFIHZXQPDHGFTRR-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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Related Compounds

5-(difluoromethoxy)pyridin-2(1H)-one
CID 14665037
3-Fluoro-5-methoxypyridin-2-ol
CID 91539998
3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)-2-pyridinol
CID 14837014
3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 90752796
5-(Trifluoromethoxy)pyridin-2-ol
CID 91256805
2-Hydroxy-4-methoxy-3-(trifluoromethyl)pyridine
CID 118704355
5-(fluoromethoxy)-1H-pyridin-2-one
CID 141503117
[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate
CID 175528482
4-(Difluoromethyl)-5-methoxypyridin-2-ol
CID 118806810
4-(Difluoromethyl)-5-methoxy-3-methylpyridin-2-ol
CID 118817558
4-(Difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridin-2-ol
CID 118818291
4-fluoro-5-methoxy-1H-pyridin-2-one
CID 118827742

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one (CID 126730864) is 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one is Cc1cc(OC(F)F)c[nH]c1=O.
What is the InChIKey of 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one?
The InChIKey is FIHZXQPDHGFTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-4-2-5(12-7(8)9)3-10-6(4)11/h2-3,7H,1H3,(H,10,11).
What are the key properties of 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one?
5-(difluoromethoxy)-3-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 5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 126730864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).