2-iodo-6-(trifluoromethyl)pyridin-4-amine

C6H4F3IN2 — CID 118801119

IUPAC2-iodo-6-(trifluoromethyl)pyridin-4-amine
SMILESNc1cc(I)nc(C(F)(F)F)c1
InChIInChI=1S/C6H4F3IN2/c7-6(8,9)4-1-3(11)2-5(10)12-4/h1-2H,(H2,11,12)
InChIKeyCTEQSPJGRKLKLJ-UHFFFAOYSA-N
MW288.01 g/mol
LogP2.29
Rot. Bonds

About 2-iodo-6-(trifluoromethyl)pyridin-4-amine

2-iodo-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 118801119) has the molecular formula C6H4F3IN2 and a molecular weight of 288.01 g/mol. Its IUPAC name is 2-iodo-6-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-iodo-6-(trifluoromethyl)pyridin-4-amine
PubChem CID118801119
Molecular FormulaC6H4F3IN2
Molecular Weight288.01 g/mol
Exact Mass287.94
IUPAC Name2-iodo-6-(trifluoromethyl)pyridin-4-amine
SMILESNc1cc(I)nc(C(F)(F)F)c1
InChIInChI=1S/C6H4F3IN2/c7-6(8,9)4-1-3(11)2-5(10)12-4/h1-2H,(H2,11,12)
InChIKeyCTEQSPJGRKLKLJ-UHFFFAOYSA-N
XLogP2.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.01
LogP ≤ 52.29
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 2-iodo-6-(trifluoromethyl)pyridin-4-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

4-Amino-2,6-dimethylpyridine
CID 77047
2,6-Difluoropyridin-4-amine
CID 11286475
4-Hydrazinyl-2,6-bis(trifluoromethyl)pyridine
CID 2764608
2-(Trifluoromethyl)pyridin-4-amine
CID 10261388
2-Iodo-6-methylpyridine
CID 12318009
2-Methyl-6-(trifluoromethyl)pyridine
CID 14761452
[6-(Trifluoromethyl)pyridin-2-yl]methanamine
CID 3719899
2-Fluoro-3-iodo-6-(trifluoromethyl)pyridine
CID 59023031
2,6-Bis-trifluoromethyl-pyridin-4-ylamine
CID 615456
2-Methyl-6-(trifluoromethyl)pyridin-3-amine
CID 3521850
2-Fluoro-6-methylpyridin-3-amine
CID 17750148
2-(Difluoromethyl)-6-fluoropyridine
CID 18439388

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-iodo-6-(trifluoromethyl)pyridin-4-amine (CID 118801119) is 2-iodo-6-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-iodo-6-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-iodo-6-(trifluoromethyl)pyridin-4-amine is Nc1cc(I)nc(C(F)(F)F)c1.
What is the InChIKey of 2-iodo-6-(trifluoromethyl)pyridin-4-amine?
The InChIKey is CTEQSPJGRKLKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3IN2/c7-6(8,9)4-1-3(11)2-5(10)12-4/h1-2H,(H2,11,12).
What are the key properties of 2-iodo-6-(trifluoromethyl)pyridin-4-amine?
2-iodo-6-(trifluoromethyl)pyridin-4-amine has a molecular weight of 288.01 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 118801119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).