Home > Compound List > Compound details
88511-25-5 molecular structure
click picture or here to close

6-iodopyridin-2-amine

ChemBase ID: 21386
Molecular Formular: C5H5IN2
Molecular Mass: 220.01107
Monoisotopic Mass: 219.94974617
SMILES and InChIs

SMILES:
Nc1cccc(n1)I
Canonical SMILES:
Nc1cccc(n1)I
InChI:
InChI=1S/C5H5IN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
InChIKey:
YGGUZZJLGAUOLQ-UHFFFAOYSA-N

Cite this record

CBID:21386 http://www.chembase.cn/molecule-21386.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-iodopyridin-2-amine
IUPAC Traditional name
6-iodopyridin-2-amine
Synonyms
6-Iodo-pyridin-2-ylamine
6-Iodo-pyridin-2-ylamine
CAS Number
88511-25-5
MDL Number
MFCD07779511
PubChem SID
160984693
PubChem CID
22281088

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4793456  LogD (pH = 7.4) 1.4825954 
Log P 1.482637  Molar Refractivity 41.9856 cm3
Polarizability 15.913267 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
103-104°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H5IN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000340 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis

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