Home > Compound List > Compound details
2604-39-9 molecular structure
click picture or here to close

2-chloro-5-nitropyridin-4-amine

ChemBase ID: 67127
Molecular Formular: C5H4ClN3O2
Molecular Mass: 173.55716
Monoisotopic Mass: 172.99920406
SMILES and InChIs

SMILES:
c1(cc(c(cn1)[N+](=O)[O-])N)Cl
Canonical SMILES:
[O-][N+](=O)c1cnc(cc1N)Cl
InChI:
InChI=1S/C5H4ClN3O2/c6-5-1-3(7)4(2-8-5)9(10)11/h1-2H,(H2,7,8)
InChIKey:
YKWBEPUOVBMENG-UHFFFAOYSA-N

Cite this record

CBID:67127 http://www.chembase.cn/molecule-67127.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-nitropyridin-4-amine
IUPAC Traditional name
2-chloro-5-nitropyridin-4-amine
Synonyms
2-Chloro-5-nitropyridine-4-amine
2-chloro-5-nitropyridin-4-amine
4-Amino-2-chloro-5-nitropyridine
CAS Number
2604-39-9
MDL Number
MFCD09033797
PubChem SID
162032863
PubChem CID
10910058

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.543116  H Acceptors
H Donor LogD (pH = 5.5) 1.340849 
LogD (pH = 7.4) 1.3408535  Log P 1.3408535 
Molar Refractivity 40.7881 cm3 Polarizability 14.559814 Å3
Polar Surface Area 82.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
189 - 191 °C expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>97% expand Show data source
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