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885277-17-8 molecular structure
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2-(5-fluoropyridin-2-yl)aniline

ChemBase ID: 811044
Molecular Formular: C11H9FN2
Molecular Mass: 188.2009632
Monoisotopic Mass: 188.07497652
SMILES and InChIs

SMILES:
Nc1c(cccc1)c1ncc(cc1)F
Canonical SMILES:
Fc1ccc(nc1)c1ccccc1N
InChI:
InChI=1S/C11H9FN2/c12-8-5-6-11(14-7-8)9-3-1-2-4-10(9)13/h1-7H,13H2
InChIKey:
ITKSWSQUENSIEO-UHFFFAOYSA-N

Cite this record

CBID:811044 http://www.chembase.cn/molecule-811044.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-fluoropyridin-2-yl)aniline
IUPAC Traditional name
2-(5-fluoropyridin-2-yl)aniline
Synonyms
2-(5-FLUORO-PYRIDIN-2-YL)-PHENYLAMINE
CAS Number
885277-17-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30058 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30058 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1005847  LogD (pH = 7.4) 2.1024017 
Log P 2.102425  Molar Refractivity 53.5821 cm3
Polarizability 21.172754 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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