4-(difluoromethyl)-5,6-diiodopyridin-3-amine

C6H4F2I2N2 — CID 130100391

IUPAC4-(difluoromethyl)-5,6-diiodopyridin-3-amine
SMILESNc1cnc(I)c(I)c1C(F)F
InChIInChI=1S/C6H4F2I2N2/c7-5(8)3-2(11)1-12-6(10)4(3)9/h1,5H,11H2
InChIKeyRAZKUQIJIHEZNQ-UHFFFAOYSA-N
MW395.92 g/mol
LogP2.81
Rot. Bonds1

About 4-(difluoromethyl)-5,6-diiodopyridin-3-amine

4-(difluoromethyl)-5,6-diiodopyridin-3-amine (PubChem CID 130100391) has the molecular formula C6H4F2I2N2 and a molecular weight of 395.92 g/mol. Its IUPAC name is 4-(difluoromethyl)-5,6-diiodopyridin-3-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5,6-diiodopyridin-3-amine
PubChem CID130100391
Molecular FormulaC6H4F2I2N2
Molecular Weight395.92 g/mol
Exact Mass395.84
IUPAC Name4-(difluoromethyl)-5,6-diiodopyridin-3-amine
SMILESNc1cnc(I)c(I)c1C(F)F
InChIInChI=1S/C6H4F2I2N2/c7-5(8)3-2(11)1-12-6(10)4(3)9/h1,5H,11H2
InChIKeyRAZKUQIJIHEZNQ-UHFFFAOYSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 52.81
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

5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
5-chloro-4-(difluoromethyl)-2,3-diiodopyridine
CID 130100430
5-amino-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130105795
5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide
CID 130105762
5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-amine
CID 130103870
5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine
CID 130105403
5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103258
4-(difluoromethyl)-5,6-difluoropyridin-3-amine
CID 130099519
5-(aminomethyl)-4-(difluoromethyl)-6-fluoropyridin-3-amine
CID 130104000
3-(difluoromethyl)-4,5-diiodopyridin-2-amine
CID 118996256
5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082590
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5,6-diiodopyridin-3-amine?
The IUPAC name of 4-(difluoromethyl)-5,6-diiodopyridin-3-amine (CID 130100391) is 4-(difluoromethyl)-5,6-diiodopyridin-3-amine.
What is the SMILES notation for 4-(difluoromethyl)-5,6-diiodopyridin-3-amine?
The canonical SMILES for 4-(difluoromethyl)-5,6-diiodopyridin-3-amine is Nc1cnc(I)c(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5,6-diiodopyridin-3-amine?
The InChIKey is RAZKUQIJIHEZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2I2N2/c7-5(8)3-2(11)1-12-6(10)4(3)9/h1,5H,11H2.
What are the key properties of 4-(difluoromethyl)-5,6-diiodopyridin-3-amine?
4-(difluoromethyl)-5,6-diiodopyridin-3-amine has a molecular weight of 395.92 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5,6-diiodopyridin-3-amine is sourced from PubChem (CID 130100391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).