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

C8H9F2NO2 — CID 118831668

IUPAC2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]cc(C)c1=O
InChIInChI=1S/C8H9F2NO2/c1-4-3-11-5(8(9)10)7(13-2)6(4)12/h3,8H,1-2H3,(H,11,12)
InChIKeyVHQWINDOJZJDPY-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.63
Rot. Bonds2

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

2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one (PubChem CID 118831668) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one
PubChem CID118831668
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]cc(C)c1=O
InChIInChI=1S/C8H9F2NO2/c1-4-3-11-5(8(9)10)7(13-2)6(4)12/h3,8H,1-2H3,(H,11,12)
InChIKeyVHQWINDOJZJDPY-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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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one (CID 118831668) is 2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one is COc1c(C(F)F)[nH]cc(C)c1=O.
What is the InChIKey of 2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one?
The InChIKey is VHQWINDOJZJDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-4-3-11-5(8(9)10)7(13-2)6(4)12/h3,8H,1-2H3,(H,11,12).
What are the key properties of 2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one?
2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-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 2-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 118831668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).