5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one

C8H9F2NO2 — CID 130083154

IUPAC5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(C)cc1C(F)F
InChIInChI=1S/C8H9F2NO2/c1-4-3-5(6(9)10)8(13-2)11-7(4)12/h3,6H,1-2H3,(H,11,12)
InChIKeyCXMLKSSBICIKQZ-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.63
Rot. Bonds2

About 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one

5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one (PubChem CID 130083154) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one
PubChem CID130083154
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(C)cc1C(F)F
InChIInChI=1S/C8H9F2NO2/c1-4-3-5(6(9)10)8(13-2)11-7(4)12/h3,6H,1-2H3,(H,11,12)
InChIKeyCXMLKSSBICIKQZ-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

2-methoxy-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 164520833
6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one
CID 176611274
4-(Difluoromethyl)-6-methoxy-5-methylpyridin-2-ol
CID 118801364
4-(fluoromethyl)-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 118807143
4-(Aminomethyl)-3-(difluoromethyl)-6-methoxypyridin-2-ol
CID 118807211
4-(Difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridin-2-ol
CID 118811657
4-(Aminomethyl)-5-(difluoromethyl)-6-methoxypyridin-2-ol
CID 118817886
4-(Difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-ol
CID 118818283
4-(Difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridin-2-ol
CID 118818300
4-(Difluoromethyl)-2-hydroxy-6-methoxynicotinamide
CID 118823516
4-(Difluoromethyl)-6-hydroxy-2-methoxynicotinaldehyde
CID 118828577
4-(Difluoromethyl)-6-hydroxy-2-methoxynicotinamide
CID 118834252

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one (CID 130083154) is 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one is COc1[nH]c(=O)c(C)cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one?
The InChIKey is CXMLKSSBICIKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-4-3-5(6(9)10)8(13-2)11-7(4)12/h3,6H,1-2H3,(H,11,12).
What are the key properties of 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one?
5-(difluoromethyl)-6-methoxy-3-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 5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130083154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).