2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine

C13H4F4IN — CID 177497894

IUPAC2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine
SMILESFc1c(F)c(F)c(C#Cc2ccccn2)c(I)c1F
InChIInChI=1S/C13H4F4IN/c14-9-8(5-4-7-3-1-2-6-19-7)13(18)12(17)11(16)10(9)15/h1-3,6H
InChIKeyXBUIWZOGJZYFAR-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.64
Rot. Bonds

About 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine

2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine (PubChem CID 177497894) has the molecular formula C13H4F4IN and a molecular weight of 377.08 g/mol. Its IUPAC name is 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine
PubChem CID177497894
Molecular FormulaC13H4F4IN
Molecular Weight377.08 g/mol
Exact Mass376.93
IUPAC Name2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine
SMILESFc1c(F)c(F)c(C#Cc2ccccn2)c(I)c1F
InChIInChI=1S/C13H4F4IN/c14-9-8(5-4-7-3-1-2-6-19-7)13(18)12(17)11(16)10(9)15/h1-3,6H
InChIKeyXBUIWZOGJZYFAR-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-iodophenyl)ethynyl]pyridine
CID 125483767
2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
CID 102471981
2-(2-isocyanatoethynyl)pyridine
CID 117264947
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
3,4-difluoro-6-(2-pyridin-2-ylethynyl)pyran-2-one
CID 11586692
2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine
CID 70085966
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride
CID 69041550
1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol
CID 102477720
[dimethyl(2-pyridin-2-ylethynyl)silyl]oxy-dimethyl-(2-pyridin-2-ylethynyl)silane
CID 101345226
iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane
CID 132837251
2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine
CID 138459115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine?
The IUPAC name of 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine (CID 177497894) is 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine.
What is the SMILES notation for 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine?
The canonical SMILES for 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine is Fc1c(F)c(F)c(C#Cc2ccccn2)c(I)c1F.
What is the InChIKey of 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine?
The InChIKey is XBUIWZOGJZYFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F4IN/c14-9-8(5-4-7-3-1-2-6-19-7)13(18)12(17)11(16)10(9)15/h1-3,6H.
What are the key properties of 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine?
2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine has a molecular weight of 377.08 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine is sourced from PubChem (CID 177497894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).