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23586-96-1 molecular structure
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(5-fluoropyridin-3-yl)methanamine

ChemBase ID: 65159
Molecular Formular: C6H7FN2
Molecular Mass: 126.1315832
Monoisotopic Mass: 126.05932645
SMILES and InChIs

SMILES:
c1(cncc(c1)CN)F
Canonical SMILES:
NCc1cc(F)cnc1
InChI:
InChI=1S/C6H7FN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
InChIKey:
RYICOVXDBBDCNT-UHFFFAOYSA-N

Cite this record

CBID:65159 http://www.chembase.cn/molecule-65159.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-fluoropyridin-3-yl)methanamine
IUPAC Traditional name
(5-fluoropyridin-3-yl)methanamine
Synonyms
(5-Fluoropyridin-3-yl)methylamine
(5-Fluoropyridin-3-yl)methylamine
3-(Aminomethyl)-5-fluoropyridine
3-Aminomethyl-5-fluoropyridine
CAS Number
23586-96-1
MDL Number
MFCD08450424
PubChem SID
162030898
PubChem CID
45116207

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8811002  LogD (pH = 7.4) -1.5687972 
Log P 0.024043761  Molar Refractivity 32.5909 cm3
Polarizability 12.46718 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
96% expand Show data source
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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