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

C7H5F2IN2O2 — CID 118815143

IUPAC2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(C(F)F)c1I
InChIInChI=1S/C7H5F2IN2O2/c8-6(9)5-4(10)2(7(11)14)1-3(13)12-5/h1,6H,(H2,11,14)(H,12,13)
InChIKeyQEQDOVLHZQJRPU-UHFFFAOYSA-N
MW314.03 g/mol
LogP1.02
Rot. Bonds2

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

2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 118815143) has the molecular formula C7H5F2IN2O2 and a molecular weight of 314.03 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide
PubChem CID118815143
Molecular FormulaC7H5F2IN2O2
Molecular Weight314.03 g/mol
Exact Mass313.94
IUPAC Name2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(C(F)F)c1I
InChIInChI=1S/C7H5F2IN2O2/c8-6(9)5-4(10)2(7(11)14)1-3(13)12-5/h1,6H,(H2,11,14)(H,12,13)
InChIKeyQEQDOVLHZQJRPU-UHFFFAOYSA-N
XLogP1.02
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.03
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide (CID 118815143) is 2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide is NC(=O)c1cc(=O)[nH]c(C(F)F)c1I.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is QEQDOVLHZQJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O2/c8-6(9)5-4(10)2(7(11)14)1-3(13)12-5/h1,6H,(H2,11,14)(H,12,13).
What are the key properties of 2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide?
2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 314.03 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 118815143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).