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

C8H9F2NO2 — CID 118817558

IUPAC4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(C)c1C(F)F
InChIInChI=1S/C8H9F2NO2/c1-4-6(7(9)10)5(13-2)3-11-8(4)12/h3,7H,1-2H3,(H,11,12)
InChIKeyCTAJNUUVCAUBLL-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.63
Rot. Bonds2

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

4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one (PubChem CID 118817558) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one
PubChem CID118817558
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(C)c1C(F)F
InChIInChI=1S/C8H9F2NO2/c1-4-6(7(9)10)5(13-2)3-11-8(4)12/h3,7H,1-2H3,(H,11,12)
InChIKeyCTAJNUUVCAUBLL-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

4-methoxy-3,5-dimethyl-1H-pyridin-2-one
CID 68895931
2-Hydroxy-4-methoxy-3-(trifluoromethyl)pyridine
CID 118704355
5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one
CID 126730864
4-methoxy-N,1-dimethyl-2-(trifluoromethyl)indigole-3-carboxamide
CID 140479675
3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 53406594
Methyl 2-hydroxy-3-(trifluoromethyl)isonicotinate
CID 118704466
4-(Difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridin-2-ol
CID 118801357
4-(Difluoromethyl)-3,5-dimethoxypyridin-2-ol
CID 118806642
4-(Difluoromethyl)-5-methoxypyridin-2-ol
CID 118806810
4-Amino-3-(difluoromethyl)-5-methoxypyridin-2-ol
CID 118812011
4-(Difluoromethyl)-2-hydroxy-5-methoxynicotinaldehyde
CID 118812225
4-(Difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridin-2-ol
CID 118817883

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one (CID 118817558) is 4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one is COc1c[nH]c(=O)c(C)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one?
The InChIKey is CTAJNUUVCAUBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-4-6(7(9)10)5(13-2)3-11-8(4)12/h3,7H,1-2H3,(H,11,12).
What are the key properties of 4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one?
4-(difluoromethyl)-5-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 4-(difluoromethyl)-5-methoxy-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118817558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).