5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine

C7H4F5IN2 — CID 130105403

IUPAC5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(I)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H4F5IN2/c8-5(9)3-4(7(10,11)12)2(14)1-15-6(3)13/h1,5H,14H2
InChIKeyYRHKPALLZSFFFP-UHFFFAOYSA-N
MW338.02 g/mol
LogP3.22
Rot. Bonds1

About 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine

5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine (PubChem CID 130105403) has the molecular formula C7H4F5IN2 and a molecular weight of 338.02 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine
PubChem CID130105403
Molecular FormulaC7H4F5IN2
Molecular Weight338.02 g/mol
Exact Mass337.93
IUPAC Name5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(I)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H4F5IN2/c8-5(9)3-4(7(10,11)12)2(14)1-15-6(3)13/h1,5H,14H2
InChIKeyYRHKPALLZSFFFP-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.02
LogP ≤ 53.22
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'}

Analyze 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-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

5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522
4-(difluoromethyl)-5,6-diiodopyridin-3-amine
CID 130100391
methyl 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133100970
5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103258
5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-amine
CID 130103870
4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridin-3-amine
CID 130106020
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134669740
5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide
CID 130105762
5-(difluoromethyl)-4-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104128
4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 130102768
4-(difluoromethyl)-5,6-difluoropyridin-3-amine
CID 130099519

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine (CID 130105403) is 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine is Nc1cnc(I)c(C(F)F)c1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine?
The InChIKey is YRHKPALLZSFFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5IN2/c8-5(9)3-4(7(10,11)12)2(14)1-15-6(3)13/h1,5H,14H2.
What are the key properties of 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine?
5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine has a molecular weight of 338.02 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 130105403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).