5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine

C8H7F3INO — CID 162562842

IUPAC5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccc(CI)cn1
InChIInChI=1S/C8H7F3INO/c9-8(10,11)5-14-7-2-1-6(3-12)4-13-7/h1-2,4H,3,5H2
InChIKeyQRHFFRUJJVNINJ-UHFFFAOYSA-N
MW317.05 g/mol
LogP2.96
Rot. Bonds3

About 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine

5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 162562842) has the molecular formula C8H7F3INO and a molecular weight of 317.05 g/mol. Its IUPAC name is 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID162562842
Molecular FormulaC8H7F3INO
Molecular Weight317.05 g/mol
Exact Mass316.95
IUPAC Name5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccc(CI)cn1
InChIInChI=1S/C8H7F3INO/c9-8(10,11)5-14-7-2-1-6(3-12)4-13-7/h1-2,4H,3,5H2
InChIKeyQRHFFRUJJVNINJ-UHFFFAOYSA-N
XLogP2.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.05
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine 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

6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
CID 123782720
[5-(iodomethyl)-2-pyridinyl] trifluoromethanesulfonate
CID 89324925
5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine
CID 162564069
N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677152
1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
CID 126752868
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
5-(4-bromobut-1-ynyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 170466988
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 56815275
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol
CID 161432610
2-methyl-3-oxo-3-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]propanoic acid
CID 122066336

Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine (CID 162562842) is 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine is FC(F)(F)COc1ccc(CI)cn1.
What is the InChIKey of 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is QRHFFRUJJVNINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO/c9-8(10,11)5-14-7-2-1-6(3-12)4-13-7/h1-2,4H,3,5H2.
What are the key properties of 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine?
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 317.05 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 162562842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).