5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one

C8H9F2NO3 — CID 130100869

IUPAC5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c[nH]c(=O)c1OC
InChIInChI=1S/C8H9F2NO3/c1-13-5-4(7(9)10)3-11-8(12)6(5)14-2/h3,7H,1-2H3,(H,11,12)
InChIKeyBBXGSHFLPNJGSU-UHFFFAOYSA-N
MW205.16 g/mol
LogP1.33
Rot. Bonds3

About 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one

5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one (PubChem CID 130100869) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one
PubChem CID130100869
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c[nH]c(=O)c1OC
InChIInChI=1S/C8H9F2NO3/c1-13-5-4(7(9)10)3-11-8(12)6(5)14-2/h3,7H,1-2H3,(H,11,12)
InChIKeyBBXGSHFLPNJGSU-UHFFFAOYSA-N
XLogP1.33
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one (CID 130100869) is 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one is COc1c(C(F)F)c[nH]c(=O)c1OC.
What is the InChIKey of 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one?
The InChIKey is BBXGSHFLPNJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-13-5-4(7(9)10)3-11-8(12)6(5)14-2/h3,7H,1-2H3,(H,11,12).
What are the key properties of 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one?
5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one has a molecular weight of 205.16 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3,4-dimethoxy-1H-pyridin-2-one is sourced from PubChem (CID 130100869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).