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756807-57-5 molecular structure
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(3-fluoro-4-methylpyridin-2-yl)methanamine

ChemBase ID: 799160
Molecular Formular: C7H9FN2
Molecular Mass: 140.1581632
Monoisotopic Mass: 140.07497652
SMILES and InChIs

SMILES:
C(N)c1nccc(c1F)C
Canonical SMILES:
NCc1nccc(c1F)C
InChI:
InChI=1S/C7H9FN2/c1-5-2-3-10-6(4-9)7(5)8/h2-3H,4,9H2,1H3
InChIKey:
OLOMPDJDZSJIRC-UHFFFAOYSA-N

Cite this record

CBID:799160 http://www.chembase.cn/molecule-799160.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-fluoro-4-methylpyridin-2-yl)methanamine
IUPAC Traditional name
(3-fluoro-4-methylpyridin-2-yl)methanamine
Synonyms
(3-fluoro-4-methylpyridin-2-yl)methanamine
CAS Number
756807-57-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13431 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13431 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) -1.8735896  LogD (pH = 7.4) -0.19032434 
Log P 0.618937  Molar Refractivity 37.1099 cm3
Polarizability 14.225541 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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