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200714-22-3 molecular structure
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7-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

ChemBase ID: 289747
Molecular Formular: C13H13FN2
Molecular Mass: 216.2541232
Monoisotopic Mass: 216.10627665
SMILES and InChIs

SMILES:
Fc1cccc2c1[nH]cc2C1=CCNCC1
Canonical SMILES:
Fc1cccc2c1[nH]cc2C1=CCNCC1
InChI:
InChI=1S/C13H13FN2/c14-12-3-1-2-10-11(8-16-13(10)12)9-4-6-15-7-5-9/h1-4,8,15-16H,5-7H2
InChIKey:
LGCVGUGCTQBGJA-UHFFFAOYSA-N

Cite this record

CBID:289747 http://www.chembase.cn/molecule-289747.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
IUPAC Traditional name
7-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Synonyms
7-Fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CAS Number
200714-22-3
PubChem SID
180675278
PubChem CID
12083453

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD225590 Please log in.
Data Source Data ID
PubChem 12083453 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.531572  H Acceptors
H Donor LogD (pH = 5.5) -0.97240645 
LogD (pH = 7.4) 0.07578461  Log P 2.208836 
Molar Refractivity 63.4779 cm3 Polarizability 25.042566 Å3
Polar Surface Area 27.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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