3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide

C7H4F2I2N2O — CID 130100748

IUPAC3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide
SMILESNC(=O)c1c(I)cnc(I)c1C(F)F
InChIInChI=1S/C7H4F2I2N2O/c8-5(9)4-3(7(12)14)2(10)1-13-6(4)11/h1,5H,(H2,12,14)
InChIKeyCTTHJMMKAKAFEN-UHFFFAOYSA-N
MW423.93 g/mol
LogP2.33
Rot. Bonds2

About 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide

3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide (PubChem CID 130100748) has the molecular formula C7H4F2I2N2O and a molecular weight of 423.93 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide
PubChem CID130100748
Molecular FormulaC7H4F2I2N2O
Molecular Weight423.93 g/mol
Exact Mass423.84
IUPAC Name3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide
SMILESNC(=O)c1c(I)cnc(I)c1C(F)F
InChIInChI=1S/C7H4F2I2N2O/c8-5(9)4-3(7(12)14)2(10)1-13-6(4)11/h1,5H,(H2,12,14)
InChIKeyCTTHJMMKAKAFEN-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

3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide
CID 130100754
3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid
CID 130082872
5-amino-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130105795
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119010704
5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130068606
2-amino-3-(difluoromethyl)-5-hydroxypyridine-4-carboxamide
CID 119009453
2-amino-5-chloro-3-(difluoromethyl)pyridine-4-carboxamide
CID 119014359
5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130072218
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
2-[4-bromo-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 130068481
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide
CID 119016650

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide (CID 130100748) is 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide is NC(=O)c1c(I)cnc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide?
The InChIKey is CTTHJMMKAKAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2I2N2O/c8-5(9)4-3(7(12)14)2(10)1-13-6(4)11/h1,5H,(H2,12,14).
What are the key properties of 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide?
3-(difluoromethyl)-2,5-diiodopyridine-4-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 3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide is sourced from PubChem (CID 130100748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).