3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile

C7H3F2IN2O — CID 118833540

IUPAC3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(I)[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H3F2IN2O/c8-6(9)5-3(2-11)1-4(10)12-7(5)13/h1,6H,(H,12,13)
InChIKeyNCRZAAZOPUWWFD-UHFFFAOYSA-N
MW296.01 g/mol
LogP1.79
Rot. Bonds1

About 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile

3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile (PubChem CID 118833540) has the molecular formula C7H3F2IN2O and a molecular weight of 296.01 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile
PubChem CID118833540
Molecular FormulaC7H3F2IN2O
Molecular Weight296.01 g/mol
Exact Mass295.93
IUPAC Name3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(I)[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H3F2IN2O/c8-6(9)5-3(2-11)1-4(10)12-7(5)13/h1,6H,(H,12,13)
InChIKeyNCRZAAZOPUWWFD-UHFFFAOYSA-N
XLogP1.79
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.01
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile (CID 118833540) is 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile is N#Cc1cc(I)[nH]c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is NCRZAAZOPUWWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2O/c8-6(9)5-3(2-11)1-4(10)12-7(5)13/h1,6H,(H,12,13).
What are the key properties of 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile?
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 296.01 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 118833540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).