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

C7H6F3NO2 — CID 130079255

IUPAC6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(F)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H6F3NO2/c1-13-5-4(12)2-3(6(8)9)11-7(5)10/h2,6H,1H3,(H,11,12)
InChIKeyTUYCCUCHSYBDMO-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.46
Rot. Bonds2

About 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one

6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one (PubChem CID 130079255) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one
PubChem CID130079255
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(F)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H6F3NO2/c1-13-5-4(12)2-3(6(8)9)11-7(5)10/h2,6H,1H3,(H,11,12)
InChIKeyTUYCCUCHSYBDMO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one (CID 130079255) is 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one is COc1c(F)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one?
The InChIKey is TUYCCUCHSYBDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-13-5-4(12)2-3(6(8)9)11-7(5)10/h2,6H,1H3,(H,11,12).
What are the key properties of 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one?
6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-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 6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 130079255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).