6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole
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![6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5cb3c311f2e943589ada61a41138d60f.png "6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole")
6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole
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CAS No:
163239-22-3
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Formula:
C15H11FN2
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Chemical Name:
6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole
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Synonyms:
1H-Indole,6-fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-;1H-Indole,6-fluoro-3-[2-(3-pyridinyl)ethenyl]-,(E)-;6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole;680C91
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CAS No:
Description
ChEBI: A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversi n of trypophan to kynurenin.
680C91 is a fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin. It has a role as an EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor. It is a fluoroindole, a member of pyridines and an olefinic compound.
Characteristics
28.7
3.3
white to beige
1.305±0.06 g/cm3(Predicted)
431.2±35.0 °C(Predicted)
DMSO: ≥10mg/mL
2-8°C
Computed Properties
Molecular Weight:238.26
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:238.09062652
Monoisotopic Mass:238.09062652
Topological Polar Surface Area:28.7
Heavy Atom Count:18
Complexity:305
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole
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