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1346691-74-4 molecular structure
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[5-(3,4-difluorophenyl)pyridin-3-yl]methanamine

ChemBase ID: 796478
Molecular Formular: C12H10F2N2
Molecular Mass: 220.2180064
Monoisotopic Mass: 220.08120477
SMILES and InChIs

SMILES:
C(N)c1cncc(c1)c1cc(c(cc1)F)F
Canonical SMILES:
NCc1cncc(c1)c1ccc(c(c1)F)F
InChI:
InChI=1S/C12H10F2N2/c13-11-2-1-9(4-12(11)14)10-3-8(5-15)6-16-7-10/h1-4,6-7H,5,15H2
InChIKey:
PQFPFBPLEWYQCE-UHFFFAOYSA-N

Cite this record

CBID:796478 http://www.chembase.cn/molecule-796478.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(3,4-difluorophenyl)pyridin-3-yl]methanamine
IUPAC Traditional name
[5-(3,4-difluorophenyl)pyridin-3-yl]methanamine
Synonyms
(5-(3,4-Difluorophenyl)pyridin-3-yl)MethanaMine
CAS Number
1346691-74-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2980 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2980 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -1.1205704 
LogD (pH = 7.4) 0.10370393  Log P 1.813971 
Molar Refractivity 57.9435 cm3 Polarizability 23.03596 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds

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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