6-iodo-4-(trifluoromethyl)quinoline

C10H5F3IN — CID 177452559

IUPAC6-iodo-4-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccnc2ccc(I)cc12
InChIInChI=1S/C10H5F3IN/c11-10(12,13)8-3-4-15-9-2-1-6(14)5-7(8)9/h1-5H
InChIKeySNPJVKSRFJPCAR-UHFFFAOYSA-N
MW323.06 g/mol
LogP3.86
Rot. Bonds

About 6-iodo-4-(trifluoromethyl)quinoline

6-iodo-4-(trifluoromethyl)quinoline (PubChem CID 177452559) has the molecular formula C10H5F3IN and a molecular weight of 323.06 g/mol. Its IUPAC name is 6-iodo-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-iodo-4-(trifluoromethyl)quinoline
PubChem CID177452559
Molecular FormulaC10H5F3IN
Molecular Weight323.06 g/mol
Exact Mass322.94
IUPAC Name6-iodo-4-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccnc2ccc(I)cc12
InChIInChI=1S/C10H5F3IN/c11-10(12,13)8-3-4-15-9-2-1-6(14)5-7(8)9/h1-5H
InChIKeySNPJVKSRFJPCAR-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.06
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-iodo-4-(trifluoromethyl)quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-iodo-4-(trifluoromethyl)quinoline?
The IUPAC name of 6-iodo-4-(trifluoromethyl)quinoline (CID 177452559) is 6-iodo-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-iodo-4-(trifluoromethyl)quinoline?
The canonical SMILES for 6-iodo-4-(trifluoromethyl)quinoline is FC(F)(F)c1ccnc2ccc(I)cc12.
What is the InChIKey of 6-iodo-4-(trifluoromethyl)quinoline?
The InChIKey is SNPJVKSRFJPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3IN/c11-10(12,13)8-3-4-15-9-2-1-6(14)5-7(8)9/h1-5H.
What are the key properties of 6-iodo-4-(trifluoromethyl)quinoline?
6-iodo-4-(trifluoromethyl)quinoline has a molecular weight of 323.06 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 177452559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).