5-iodo-2-(trifluoromethyl)quinolin-6-amine

C10H6F3IN2 — CID 162440825

IUPAC5-iodo-2-(trifluoromethyl)quinolin-6-amine
SMILESNc1ccc2nc(C(F)(F)F)ccc2c1I
InChIInChI=1S/C10H6F3IN2/c11-10(12,13)8-4-1-5-7(16-8)3-2-6(15)9(5)14/h1-4H,15H2
InChIKeyXWTQFYIWDZVIDR-UHFFFAOYSA-N
MW338.07 g/mol
LogP3.44
Rot. Bonds

About 5-iodo-2-(trifluoromethyl)quinolin-6-amine

5-iodo-2-(trifluoromethyl)quinolin-6-amine (PubChem CID 162440825) has the molecular formula C10H6F3IN2 and a molecular weight of 338.07 g/mol. Its IUPAC name is 5-iodo-2-(trifluoromethyl)quinolin-6-amine.

Molecular Properties

Compound Name5-iodo-2-(trifluoromethyl)quinolin-6-amine
PubChem CID162440825
Molecular FormulaC10H6F3IN2
Molecular Weight338.07 g/mol
Exact Mass337.95
IUPAC Name5-iodo-2-(trifluoromethyl)quinolin-6-amine
SMILESNc1ccc2nc(C(F)(F)F)ccc2c1I
InChIInChI=1S/C10H6F3IN2/c11-10(12,13)8-4-1-5-7(16-8)3-2-6(15)9(5)14/h1-4H,15H2
InChIKeyXWTQFYIWDZVIDR-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.07
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(trifluoromethyl)quinolin-6-amine
CID 150996753
2,6-bis(trifluoromethyl)pyridin-3-amine
CID 131531494
4-amino-2-(trifluoromethyl)quinolin-6-ol
CID 170250530
5-chloro-2-(trifluoromethyl)quinoline
CID 10889765
2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130922748
[3-amino-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 53414335
6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
CID 62203089
2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
CID 70979281
7-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947251
5,7-difluoro-2-(trifluoromethyl)quinoline
CID 11075309
6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde
CID 89105796
6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 54594002

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(trifluoromethyl)quinolin-6-amine?
The IUPAC name of 5-iodo-2-(trifluoromethyl)quinolin-6-amine (CID 162440825) is 5-iodo-2-(trifluoromethyl)quinolin-6-amine.
What is the SMILES notation for 5-iodo-2-(trifluoromethyl)quinolin-6-amine?
The canonical SMILES for 5-iodo-2-(trifluoromethyl)quinolin-6-amine is Nc1ccc2nc(C(F)(F)F)ccc2c1I.
What is the InChIKey of 5-iodo-2-(trifluoromethyl)quinolin-6-amine?
The InChIKey is XWTQFYIWDZVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3IN2/c11-10(12,13)8-4-1-5-7(16-8)3-2-6(15)9(5)14/h1-4H,15H2.
What are the key properties of 5-iodo-2-(trifluoromethyl)quinolin-6-amine?
5-iodo-2-(trifluoromethyl)quinolin-6-amine has a molecular weight of 338.07 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(trifluoromethyl)quinolin-6-amine is sourced from PubChem (CID 162440825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).