Home > Compound List > Compound details
503536-73-0 molecular structure
click picture or here to close

5-(4-fluorophenyl)pyridin-2-amine

ChemBase ID: 292081
Molecular Formular: C11H9FN2
Molecular Mass: 188.2009632
Monoisotopic Mass: 188.07497652
SMILES and InChIs

SMILES:
Nc1ncc(c2ccc(F)cc2)cc1
Canonical SMILES:
Fc1ccc(cc1)c1ccc(nc1)N
InChI:
InChI=1S/C11H9FN2/c12-10-4-1-8(2-5-10)9-3-6-11(13)14-7-9/h1-7H,(H2,13,14)
InChIKey:
MQBSATGBKLUKNQ-UHFFFAOYSA-N

Cite this record

CBID:292081 http://www.chembase.cn/molecule-292081.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-fluorophenyl)pyridin-2-amine
IUPAC Traditional name
5-(4-fluorophenyl)pyridin-2-amine
Synonyms
5-(4-Fluorophenyl)pyridin-2-amine
5-(4-FLUOROPHENYL)-2-PYRIDINAMINE
CAS Number
503536-73-0
MDL Number
MFCD06802133
PubChem SID
180677612
PubChem CID
22504802

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22504802 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4987048  LogD (pH = 7.4) 2.2758343 
Log P 2.3110323  Molar Refractivity 54.2676 cm3
Polarizability 21.165974 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
98% 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