N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine

C6H3F3I2N2 — CID 174177845

IUPACN,6-diiodo-2-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1nc(I)ccc1NI
InChIInChI=1S/C6H3F3I2N2/c7-6(8,9)5-3(13-11)1-2-4(10)12-5/h1-2,13H
InChIKeyRQYGBUARDLPGKG-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.47
Rot. Bonds1

About N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine

N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine (PubChem CID 174177845) has the molecular formula C6H3F3I2N2 and a molecular weight of 413.91 g/mol. Its IUPAC name is N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN,6-diiodo-2-(trifluoromethyl)pyridin-3-amine
PubChem CID174177845
Molecular FormulaC6H3F3I2N2
Molecular Weight413.91 g/mol
Exact Mass413.83
IUPAC NameN,6-diiodo-2-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1nc(I)ccc1NI
InChIInChI=1S/C6H3F3I2N2/c7-6(8,9)5-3(13-11)1-2-4(10)12-5/h1-2,13H
InChIKeyRQYGBUARDLPGKG-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.47
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine (CID 174177845) is N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine is FC(F)(F)c1nc(I)ccc1NI.
What is the InChIKey of N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine?
The InChIKey is RQYGBUARDLPGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3I2N2/c7-6(8,9)5-3(13-11)1-2-4(10)12-5/h1-2,13H.
What are the key properties of N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine?
N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine has a molecular weight of 413.91 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diiodo-2-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 174177845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).