3,5-difluoro-4-methoxy-1H-pyridin-2-one

C6H5F2NO2 — CID 175264337

IUPAC3,5-difluoro-4-methoxy-1H-pyridin-2-one
SMILESCOc1c(F)c[nH]c(=O)c1F
InChIInChI=1S/C6H5F2NO2/c1-11-5-3(7)2-9-6(10)4(5)8/h2H,1H3,(H,9,10)
InChIKeyRUDUNSCSBYLIOJ-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.66
Rot. Bonds1

About 3,5-difluoro-4-methoxy-1H-pyridin-2-one

3,5-difluoro-4-methoxy-1H-pyridin-2-one (PubChem CID 175264337) has the molecular formula C6H5F2NO2 and a molecular weight of 161.11 g/mol. Its IUPAC name is 3,5-difluoro-4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-difluoro-4-methoxy-1H-pyridin-2-one
PubChem CID175264337
Molecular FormulaC6H5F2NO2
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name3,5-difluoro-4-methoxy-1H-pyridin-2-one
SMILESCOc1c(F)c[nH]c(=O)c1F
InChIInChI=1S/C6H5F2NO2/c1-11-5-3(7)2-9-6(10)4(5)8/h2H,1H3,(H,9,10)
InChIKeyRUDUNSCSBYLIOJ-UHFFFAOYSA-N
XLogP0.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methoxy-1H-pyridin-2-one?
The IUPAC name of 3,5-difluoro-4-methoxy-1H-pyridin-2-one (CID 175264337) is 3,5-difluoro-4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 3,5-difluoro-4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 3,5-difluoro-4-methoxy-1H-pyridin-2-one is COc1c(F)c[nH]c(=O)c1F.
What is the InChIKey of 3,5-difluoro-4-methoxy-1H-pyridin-2-one?
The InChIKey is RUDUNSCSBYLIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2/c1-11-5-3(7)2-9-6(10)4(5)8/h2H,1H3,(H,9,10).
What are the key properties of 3,5-difluoro-4-methoxy-1H-pyridin-2-one?
3,5-difluoro-4-methoxy-1H-pyridin-2-one has a molecular weight of 161.11 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 175264337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).