N-iodo-2-(trifluoromethyl)quinolin-4-amine

C10H6F3IN2 — CID 163228874

IUPACN-iodo-2-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(NI)c2ccccc2n1
InChIInChI=1S/C10H6F3IN2/c11-10(12,13)9-5-8(16-14)6-3-1-2-4-7(6)15-9/h1-5H,(H,15,16)
InChIKeyMYLFEEIIKPHQBT-UHFFFAOYSA-N
MW338.07 g/mol
LogP4.02
Rot. Bonds1

About N-iodo-2-(trifluoromethyl)quinolin-4-amine

N-iodo-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 163228874) has the molecular formula C10H6F3IN2 and a molecular weight of 338.07 g/mol. Its IUPAC name is N-iodo-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-iodo-2-(trifluoromethyl)quinolin-4-amine
PubChem CID163228874
Molecular FormulaC10H6F3IN2
Molecular Weight338.07 g/mol
Exact Mass337.95
IUPAC NameN-iodo-2-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(NI)c2ccccc2n1
InChIInChI=1S/C10H6F3IN2/c11-10(12,13)9-5-8(16-14)6-3-1-2-4-7(6)15-9/h1-5H,(H,15,16)
InChIKeyMYLFEEIIKPHQBT-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.07
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-iodo-2-(trifluoromethyl)quinolin-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

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-iodo-2-(trifluoromethyl)quinolin-4-amine (CID 163228874) is N-iodo-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-iodo-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-iodo-2-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1cc(NI)c2ccccc2n1.
What is the InChIKey of N-iodo-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is MYLFEEIIKPHQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3IN2/c11-10(12,13)9-5-8(16-14)6-3-1-2-4-7(6)15-9/h1-5H,(H,15,16).
What are the key properties of N-iodo-2-(trifluoromethyl)quinolin-4-amine?
N-iodo-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 338.07 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 163228874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).