Home > Compound List > Compound details
108118-69-0 molecular structure
click picture or here to close

2,6-difluoropyridin-3-amine

ChemBase ID: 291776
Molecular Formular: C5H4F2N2
Molecular Mass: 130.0954664
Monoisotopic Mass: 130.03425458
SMILES and InChIs

SMILES:
Nc1ccc(F)nc1F
Canonical SMILES:
Fc1ccc(c(n1)F)N
InChI:
InChI=1S/C5H4F2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
InChIKey:
TVWPHKCZBQOPBF-UHFFFAOYSA-N

Cite this record

CBID:291776 http://www.chembase.cn/molecule-291776.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-difluoropyridin-3-amine
IUPAC Traditional name
2,6-difluoropyridin-3-amine
Synonyms
2,6-Difluoropyridin-3-amine
CAS Number
108118-69-0
MDL Number
MFCD13185331
PubChem SID
180677307
PubChem CID
45080006

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD232623 Please log in.
Data Source Data ID
PubChem 45080006 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9999126  LogD (pH = 7.4) 0.9999126 
Log P 0.9999126  Molar Refractivity 31.0637 cm3
Polarizability 10.129216 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle