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

C7H4F2I2N2O — CID 130100754

IUPAC3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide
SMILESNC(=O)c1ncc(I)c(I)c1C(F)F
InChIInChI=1S/C7H4F2I2N2O/c8-6(9)3-4(11)2(10)1-13-5(3)7(12)14/h1,6H,(H2,12,14)
InChIKeyDJBYPXXMYIWACW-UHFFFAOYSA-N
MW423.93 g/mol
LogP2.33
Rot. Bonds2

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

3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide (PubChem CID 130100754) has the molecular formula C7H4F2I2N2O and a molecular weight of 423.93 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide
PubChem CID130100754
Molecular FormulaC7H4F2I2N2O
Molecular Weight423.93 g/mol
Exact Mass423.84
IUPAC Name3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide
SMILESNC(=O)c1ncc(I)c(I)c1C(F)F
InChIInChI=1S/C7H4F2I2N2O/c8-6(9)3-4(11)2(10)1-13-5(3)7(12)14/h1,6H,(H2,12,14)
InChIKeyDJBYPXXMYIWACW-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130105795
5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130068606
3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide
CID 130100748
3-(difluoromethyl)-4,5-difluoropyridine-2-carboxamide
CID 118807178
4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
3-(difluoromethyl)-4,5-diiodopyridin-2-amine
CID 118996256
3-amino-5-chloro-4-(difluoromethyl)pyridine-2-carboxamide
CID 130103158
4-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carboxamide
CID 118852090
methyl 3-(difluoromethyl)-4-iodo-5-methylpyridine-2-carboxylate
CID 130086290
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119010704
4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
4-(difluoromethyl)-5-iodo-6-methoxypyridine-3-carboxamide
CID 118846499

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide?
The IUPAC name of 3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide (CID 130100754) is 3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide is NC(=O)c1ncc(I)c(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide?
The InChIKey is DJBYPXXMYIWACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2I2N2O/c8-6(9)3-4(11)2(10)1-13-5(3)7(12)14/h1,6H,(H2,12,14).
What are the key properties of 3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide?
3-(difluoromethyl)-4,5-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 3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide is sourced from PubChem (CID 130100754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).