4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide

C7H4F2I2N2O — CID 118806851

IUPAC4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
SMILESNC(=O)c1nc(I)cc(C(F)F)c1I
InChIInChI=1S/C7H4F2I2N2O/c8-6(9)2-1-3(10)13-5(4(2)11)7(12)14/h1,6H,(H2,12,14)
InChIKeyRXBHLBATDXLLME-UHFFFAOYSA-N
MW423.93 g/mol
LogP2.33
Rot. Bonds2

About 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide

4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide (PubChem CID 118806851) has the molecular formula C7H4F2I2N2O and a molecular weight of 423.93 g/mol. Its IUPAC name is 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
PubChem CID118806851
Molecular FormulaC7H4F2I2N2O
Molecular Weight423.93 g/mol
Exact Mass423.84
IUPAC Name4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
SMILESNC(=O)c1nc(I)cc(C(F)F)c1I
InChIInChI=1S/C7H4F2I2N2O/c8-6(9)2-1-3(10)13-5(4(2)11)7(12)14/h1,6H,(H2,12,14)
InChIKeyRXBHLBATDXLLME-UHFFFAOYSA-N
XLogP2.33
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 52.33
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

4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 118828941
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522
4-(difluoromethyl)-6-iodo-3-methoxypyridine-2-carboxylic acid
CID 118835420
4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-2-carboxamide
CID 118801169
6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130068422
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide
CID 130085884
4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
CID 118829473
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
4-(difluoromethyl)-6-iodopyridine-2-carboxamide
CID 118811936
3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
CID 119025298

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide?
The IUPAC name of 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide (CID 118806851) is 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide is NC(=O)c1nc(I)cc(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide?
The InChIKey is RXBHLBATDXLLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2I2N2O/c8-6(9)2-1-3(10)13-5(4(2)11)7(12)14/h1,6H,(H2,12,14).
What are the key properties of 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide?
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide has a molecular weight of 423.93 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide is sourced from PubChem (CID 118806851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).