2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile

C7H4F2N2O2 — CID 130792938

IUPAC2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)F)[nH]c(=O)c1
InChIInChI=1S/C7H4F2N2O2/c8-7(9)13-6-2-4(3-10)1-5(12)11-6/h1-2,7H,(H,11,12)
InChIKeyKBDGFJSXFBVESA-UHFFFAOYSA-N
MW186.12 g/mol
LogP0.85
Rot. Bonds2

About 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile

2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile (PubChem CID 130792938) has the molecular formula C7H4F2N2O2 and a molecular weight of 186.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile
PubChem CID130792938
Molecular FormulaC7H4F2N2O2
Molecular Weight186.12 g/mol
Exact Mass186.02
IUPAC Name2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)F)[nH]c(=O)c1
InChIInChI=1S/C7H4F2N2O2/c8-7(9)13-6-2-4(3-10)1-5(12)11-6/h1-2,7H,(H,11,12)
InChIKeyKBDGFJSXFBVESA-UHFFFAOYSA-N
XLogP0.85
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile (CID 130792938) is 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile is N#Cc1cc(OC(F)F)[nH]c(=O)c1.
What is the InChIKey of 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is KBDGFJSXFBVESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O2/c8-7(9)13-6-2-4(3-10)1-5(12)11-6/h1-2,7H,(H,11,12).
What are the key properties of 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile?
2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 186.12 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 130792938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).