5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile

C7H3F3N2O — CID 130075861

IUPAC5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(C(F)F)c(F)[nH]1
InChIInChI=1S/C7H3F3N2O/c8-6(9)5-4(13)1-3(2-11)12-7(5)10/h1,6H,(H,12,13)
InChIKeyXQSTXULJDMFLJK-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.32
Rot. Bonds1

About 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile

5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130075861) has the molecular formula C7H3F3N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID130075861
Molecular FormulaC7H3F3N2O
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(C(F)F)c(F)[nH]1
InChIInChI=1S/C7H3F3N2O/c8-6(9)5-4(13)1-3(2-11)12-7(5)10/h1,6H,(H,12,13)
InChIKeyXQSTXULJDMFLJK-UHFFFAOYSA-N
XLogP1.32
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.32
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 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile (CID 130075861) is 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1cc(=O)c(C(F)F)c(F)[nH]1.
What is the InChIKey of 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is XQSTXULJDMFLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O/c8-6(9)5-4(13)1-3(2-11)12-7(5)10/h1,6H,(H,12,13).
What are the key properties of 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 188.11 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130075861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).