4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one

C8H9F2NO2 — CID 118806804

IUPAC4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c(C)c[nH]c1=O
InChIInChI=1S/C8H9F2NO2/c1-4-3-11-8(12)6(13-2)5(4)7(9)10/h3,7H,1-2H3,(H,11,12)
InChIKeyWGSCFJJOSWXWMX-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.63
Rot. Bonds2

About 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one

4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one (PubChem CID 118806804) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
PubChem CID118806804
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c(C)c[nH]c1=O
InChIInChI=1S/C8H9F2NO2/c1-4-3-11-8(12)6(13-2)5(4)7(9)10/h3,7H,1-2H3,(H,11,12)
InChIKeyWGSCFJJOSWXWMX-UHFFFAOYSA-N
XLogP1.63
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172463406
CID 172463406
CID 23049010
CID 23049010
CID 118025202
CID 118025202
CID 118704354
CID 118704354
CID 130092983
CID 130092983
CID 153933574
CID 153933574
CID 154508416
CID 154508416
CID 177032160
CID 177032160
CID 118801175
CID 118801175
CID 118806228
CID 118806228
CID 118806642
CID 118806642
CID 118811677
CID 118811677

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one (CID 118806804) is 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one is COc1c(C(F)F)c(C)c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one?
The InChIKey is WGSCFJJOSWXWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-4-3-11-8(12)6(13-2)5(4)7(9)10/h3,7H,1-2H3,(H,11,12).
What are the key properties of 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one?
4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one has a molecular weight of 189.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118806804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).