3-(difluoromethyl)-4,5-diiodopyridin-2-amine

C6H4F2I2N2 — CID 118996256

IUPAC3-(difluoromethyl)-4,5-diiodopyridin-2-amine
SMILESNc1ncc(I)c(I)c1C(F)F
InChIInChI=1S/C6H4F2I2N2/c7-5(8)3-4(10)2(9)1-12-6(3)11/h1,5H,(H2,11,12)
InChIKeyYYGIGDWBUAIJEQ-UHFFFAOYSA-N
MW395.92 g/mol
LogP2.81
Rot. Bonds1

About 3-(difluoromethyl)-4,5-diiodopyridin-2-amine

3-(difluoromethyl)-4,5-diiodopyridin-2-amine (PubChem CID 118996256) has the molecular formula C6H4F2I2N2 and a molecular weight of 395.92 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,5-diiodopyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-4,5-diiodopyridin-2-amine
PubChem CID118996256
Molecular FormulaC6H4F2I2N2
Molecular Weight395.92 g/mol
Exact Mass395.84
IUPAC Name3-(difluoromethyl)-4,5-diiodopyridin-2-amine
SMILESNc1ncc(I)c(I)c1C(F)F
InChIInChI=1S/C6H4F2I2N2/c7-5(8)3-4(10)2(9)1-12-6(3)11/h1,5H,(H2,11,12)
InChIKeyYYGIGDWBUAIJEQ-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': 'iodine', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-4,5-diiodopyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide
CID 130100754
4,5-dichloro-3-(difluoromethyl)pyridin-2-amine
CID 119024495
4-(difluoromethyl)-5,6-diiodopyridin-3-amine
CID 130100391
3-(difluoromethyl)-5-fluoro-4-methylpyridin-2-amine
CID 119000809
5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-amine
CID 130103870
5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119016781
[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
CID 118808483
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 119006850
3-(difluoromethyl)-5-methoxypyridine-2,4-diamine
CID 119019295
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820101
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,5-diiodopyridin-2-amine?
The IUPAC name of 3-(difluoromethyl)-4,5-diiodopyridin-2-amine (CID 118996256) is 3-(difluoromethyl)-4,5-diiodopyridin-2-amine.
What is the SMILES notation for 3-(difluoromethyl)-4,5-diiodopyridin-2-amine?
The canonical SMILES for 3-(difluoromethyl)-4,5-diiodopyridin-2-amine is Nc1ncc(I)c(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,5-diiodopyridin-2-amine?
The InChIKey is YYGIGDWBUAIJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2I2N2/c7-5(8)3-4(10)2(9)1-12-6(3)11/h1,5H,(H2,11,12).
What are the key properties of 3-(difluoromethyl)-4,5-diiodopyridin-2-amine?
3-(difluoromethyl)-4,5-diiodopyridin-2-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 3-(difluoromethyl)-4,5-diiodopyridin-2-amine is sourced from PubChem (CID 118996256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).