3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine

C8H5ClF4IN — CID 163548685

IUPAC3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
SMILESFC(CI)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF4IN/c9-5-1-4(8(11,12)13)3-15-7(5)6(10)2-14/h1,3,6H,2H2
InChIKeyFHEZLNFIVHAVIA-UHFFFAOYSA-N
MW353.48 g/mol
LogP4.20
Rot. Bonds2

About 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine

3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine (PubChem CID 163548685) has the molecular formula C8H5ClF4IN and a molecular weight of 353.48 g/mol. Its IUPAC name is 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
PubChem CID163548685
Molecular FormulaC8H5ClF4IN
Molecular Weight353.48 g/mol
Exact Mass352.91
IUPAC Name3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
SMILESFC(CI)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF4IN/c9-5-1-4(8(11,12)13)3-15-7(5)6(10)2-14/h1,3,6H,2H2
InChIKeyFHEZLNFIVHAVIA-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
CID 170266507
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
CID 66798194
2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride
CID 23078241
2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 170875466
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine
CID 63198526
ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 124583640
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyanoacetate
CID 152766144
3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
CID 18327281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine (CID 163548685) is 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine is FC(CI)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is FHEZLNFIVHAVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4IN/c9-5-1-4(8(11,12)13)3-15-7(5)6(10)2-14/h1,3,6H,2H2.
What are the key properties of 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine has a molecular weight of 353.48 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 163548685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).