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1346692-21-4 molecular structure
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[5-(3-chloro-5-fluorophenyl)pyridin-3-yl]methanamine

ChemBase ID: 797185
Molecular Formular: C12H10ClFN2
Molecular Mass: 236.6726032
Monoisotopic Mass: 236.05165423
SMILES and InChIs

SMILES:
C(N)c1cncc(c1)c1cc(cc(c1)F)Cl
Canonical SMILES:
NCc1cncc(c1)c1cc(F)cc(c1)Cl
InChI:
InChI=1S/C12H10ClFN2/c13-11-2-9(3-12(14)4-11)10-1-8(5-15)6-16-7-10/h1-4,6-7H,5,15H2
InChIKey:
OPAPSLGSJNZJKQ-UHFFFAOYSA-N

Cite this record

CBID:797185 http://www.chembase.cn/molecule-797185.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(3-chloro-5-fluorophenyl)pyridin-3-yl]methanamine
IUPAC Traditional name
[5-(3-chloro-5-fluorophenyl)pyridin-3-yl]methanamine
Synonyms
(5-(3-Chloro-5-fluorophenyl)pyridin-3-yl)MethanaMine
CAS Number
1346692-21-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6200 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.65800744  LogD (pH = 7.4) 0.5704311 
Log P 2.2753139  Molar Refractivity 62.5319 cm3
Polarizability 25.255545 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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