4-(difluoromethyl)-6-iodopyridine-2-carboxamide

C7H5F2IN2O — CID 118811936

IUPAC4-(difluoromethyl)-6-iodopyridine-2-carboxamide
SMILESNC(=O)c1cc(C(F)F)cc(I)n1
InChIInChI=1S/C7H5F2IN2O/c8-6(9)3-1-4(7(11)13)12-5(10)2-3/h1-2,6H,(H2,11,13)
InChIKeyAFEMIFBSQUXMOD-UHFFFAOYSA-N
MW298.03 g/mol
LogP1.72
Rot. Bonds2

About 4-(difluoromethyl)-6-iodopyridine-2-carboxamide

4-(difluoromethyl)-6-iodopyridine-2-carboxamide (PubChem CID 118811936) has the molecular formula C7H5F2IN2O and a molecular weight of 298.03 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodopyridine-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodopyridine-2-carboxamide
PubChem CID118811936
Molecular FormulaC7H5F2IN2O
Molecular Weight298.03 g/mol
Exact Mass297.94
IUPAC Name4-(difluoromethyl)-6-iodopyridine-2-carboxamide
SMILESNC(=O)c1cc(C(F)F)cc(I)n1
InChIInChI=1S/C7H5F2IN2O/c8-6(9)3-1-4(7(11)13)12-5(10)2-3/h1-2,6H,(H2,11,13)
InChIKeyAFEMIFBSQUXMOD-UHFFFAOYSA-N
XLogP1.72
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.03
LogP ≤ 51.72
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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Related Compounds

6-(difluoromethyl)-4-iodopyridine-2-carboxamide
CID 118809129
2-(difluoromethyl)-3-hydroxy-6-iodopyridine-4-carboxamide
CID 118837184
4-(difluoromethyl)-5-hydroxy-6-iodopyridine-2-carboxamide
CID 118840847
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851
5,6-diamino-4-(difluoromethyl)pyridine-2-carboxamide
CID 119003391
4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
CID 119022721
5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide
CID 130101518
4-amino-6-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 118801026
6-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxamide
CID 119015693
4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carboxamide
CID 118851932
4-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 130072220
4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 118846293

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-iodopyridine-2-carboxamide?
The IUPAC name of 4-(difluoromethyl)-6-iodopyridine-2-carboxamide (CID 118811936) is 4-(difluoromethyl)-6-iodopyridine-2-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-6-iodopyridine-2-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-6-iodopyridine-2-carboxamide is NC(=O)c1cc(C(F)F)cc(I)n1.
What is the InChIKey of 4-(difluoromethyl)-6-iodopyridine-2-carboxamide?
The InChIKey is AFEMIFBSQUXMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O/c8-6(9)3-1-4(7(11)13)12-5(10)2-3/h1-2,6H,(H2,11,13).
What are the key properties of 4-(difluoromethyl)-6-iodopyridine-2-carboxamide?
4-(difluoromethyl)-6-iodopyridine-2-carboxamide has a molecular weight of 298.03 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-iodopyridine-2-carboxamide is sourced from PubChem (CID 118811936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).