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

C7H6F3NO2 — CID 118828921

IUPAC4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(F)c1C(F)F
InChIInChI=1S/C7H6F3NO2/c1-13-3-2-11-7(12)5(8)4(3)6(9)10/h2,6H,1H3,(H,11,12)
InChIKeyKJBRPTSHOYKWAT-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.46
Rot. Bonds2

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

4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one (PubChem CID 118828921) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one
PubChem CID118828921
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(F)c1C(F)F
InChIInChI=1S/C7H6F3NO2/c1-13-3-2-11-7(12)5(8)4(3)6(9)10/h2,6H,1H3,(H,11,12)
InChIKeyKJBRPTSHOYKWAT-UHFFFAOYSA-N
XLogP1.46
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one (CID 118828921) is 4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one is COc1c[nH]c(=O)c(F)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one?
The InChIKey is KJBRPTSHOYKWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-13-3-2-11-7(12)5(8)4(3)6(9)10/h2,6H,1H3,(H,11,12).
What are the key properties of 4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one?
4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-fluoro-5-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 118828921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).