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

C7H4F2I2N2O — CID 130100741

IUPAC6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide
SMILESNC(=O)c1cc(C(F)F)nc(I)c1I
InChIInChI=1S/C7H4F2I2N2O/c8-5(9)3-1-2(7(12)14)4(10)6(11)13-3/h1,5H,(H2,12,14)
InChIKeyOXVMYYVHQGDCPD-UHFFFAOYSA-N
MW423.93 g/mol
LogP2.33
Rot. Bonds2

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

6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide (PubChem CID 130100741) has the molecular formula C7H4F2I2N2O and a molecular weight of 423.93 g/mol. Its IUPAC name is 6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide
PubChem CID130100741
Molecular FormulaC7H4F2I2N2O
Molecular Weight423.93 g/mol
Exact Mass423.84
IUPAC Name6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide
SMILESNC(=O)c1cc(C(F)F)nc(I)c1I
InChIInChI=1S/C7H4F2I2N2O/c8-5(9)3-1-2(7(12)14)4(10)6(11)13-3/h1,5H,(H2,12,14)
InChIKeyOXVMYYVHQGDCPD-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

2,3-diamino-6-(difluoromethyl)pyridine-4-carboxamide
CID 119018170
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
6-(difluoromethyl)-4-iodopyridine-2-carboxamide
CID 118809129
methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate
CID 130082903
2-(difluoromethyl)-5-hydroxy-6-iodopyridine-3-carboxamide
CID 118809374
2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 119024451
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
CID 119016503
6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide
CID 130085884
6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134666314
2-(difluoromethyl)-3-iodo-6-methoxypyridine-4-carboxamide
CID 118837244
ethyl 6-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 133105829
2-(difluoromethyl)-3-hydroxy-6-iodopyridine-4-carboxamide
CID 118837184

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide (CID 130100741) is 6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide is NC(=O)c1cc(C(F)F)nc(I)c1I.
What is the InChIKey of 6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide?
The InChIKey is OXVMYYVHQGDCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2I2N2O/c8-5(9)3-1-2(7(12)14)4(10)6(11)13-3/h1,5H,(H2,12,14).
What are the key properties of 6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide?
6-(difluoromethyl)-2,3-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 6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide is sourced from PubChem (CID 130100741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).