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1060809-42-8 molecular structure
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[(4-fluoropyridin-2-yl)methyl](methyl)amine

ChemBase ID: 815162
Molecular Formular: C7H9FN2
Molecular Mass: 140.1581632
Monoisotopic Mass: 140.07497652
SMILES and InChIs

SMILES:
C(NC)c1nccc(c1)F
Canonical SMILES:
CNCc1cc(F)ccn1
InChI:
InChI=1S/C7H9FN2/c1-9-5-7-4-6(8)2-3-10-7/h2-4,9H,5H2,1H3
InChIKey:
GFRYGTUOPXHZSO-UHFFFAOYSA-N

Cite this record

CBID:815162 http://www.chembase.cn/molecule-815162.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-fluoropyridin-2-yl)methyl](methyl)amine
IUPAC Traditional name
[(4-fluoropyridin-2-yl)methyl](methyl)amine
Synonyms
1-(4-fluoropyridin-2-yl)-N-methylmethanamine
CAS Number
1060809-42-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37424 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37424 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) -2.028614  LogD (pH = 7.4) -0.29747644 
Log P 0.5380961  Molar Refractivity 36.8433 cm3
Polarizability 14.298121 Å3 Polar Surface Area 24.92 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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