2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine

C8H4F4INO — CID 135125786

IUPAC2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine
SMILESFC(=CI)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C8H4F4INO/c9-6(3-13)7-2-1-5(4-14-7)15-8(10,11)12/h1-4H
InChIKeyLWSCEQKWAIJEFD-UHFFFAOYSA-N
MW333.02 g/mol
LogP3.68
Rot. Bonds2

About 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine

2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine (PubChem CID 135125786) has the molecular formula C8H4F4INO and a molecular weight of 333.02 g/mol. Its IUPAC name is 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine
PubChem CID135125786
Molecular FormulaC8H4F4INO
Molecular Weight333.02 g/mol
Exact Mass332.93
IUPAC Name2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine
SMILESFC(=CI)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C8H4F4INO/c9-6(3-13)7-2-1-5(4-14-7)15-8(10,11)12/h1-4H
InChIKeyLWSCEQKWAIJEFD-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid
CID 142618437
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 19860744
[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
CID 162509734
2,2-dimethyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one
CID 118431522
methyl 5-(2-bromo-1,1-difluoroethoxy)pyridine-2-carboxylate
CID 126715703
6-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-3-amine
CID 114281005
5-[4-(trifluoromethoxy)anilino]pyridine-2-carbothioamide
CID 115488112
7-[3-(trifluoromethoxy)phenoxy]isoquinoline-3-carboxylic acid
CID 142757334
(Z)-3-methyl-4-[4-(trifluoromethoxy)phenoxy]but-2-enoic acid
CID 113497364
2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine
CID 146439449
5-(trifluoromethoxy)pyrimidin-2-amine
CID 138532683
(1S,5S,6S)-3-amino-5-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide
CID 126556918

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine (CID 135125786) is 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine is FC(=CI)c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine?
The InChIKey is LWSCEQKWAIJEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4INO/c9-6(3-13)7-2-1-5(4-14-7)15-8(10,11)12/h1-4H.
What are the key properties of 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine?
2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine has a molecular weight of 333.02 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 135125786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).