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136901-10-5 molecular structure
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6-chloro-3-nitropyridin-2-amine

ChemBase ID: 67369
Molecular Formular: C5H4ClN3O2
Molecular Mass: 173.55716
Monoisotopic Mass: 172.99920406
SMILES and InChIs

SMILES:
c1(c(ccc(n1)Cl)[N+](=O)[O-])N
Canonical SMILES:
[O-][N+](=O)c1ccc(nc1N)Cl
InChI:
InChI=1S/C5H4ClN3O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H,(H2,7,8)
InChIKey:
WERABQRUGJIMKQ-UHFFFAOYSA-N

Cite this record

CBID:67369 http://www.chembase.cn/molecule-67369.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-3-nitropyridin-2-amine
IUPAC Traditional name
6-chloro-3-nitropyridin-2-amine
Synonyms
2-Amino-3-nitro-6-chloropyridine
6-Chloro-3-nitro-2-pyridinamine
2-Amino-6-chloro-3-nitro-pyridine
6-Chloro-3-nitropyridin-2-ylamine
6-Amino-2-chloro-5-nitropyridine
2-Amino-6-chloro-3-nitropyridine
2-Amino-6-chloro-3-nitropyridine
6-chloro-3-nitropyridin-2-amine
6-Chloro-3-nitropyridin-2-amine
2-Amino-6-chloro-3-nitropyridine 98%
2-氨基-3-硝基-6-氯吡啶
CAS Number
136901-10-5
27048-04-0
MDL Number
MFCD00044350
PubChem SID
162033104
PubChem CID
2724035

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.625638  H Acceptors
H Donor LogD (pH = 5.5) 1.935311 
LogD (pH = 7.4) 1.935311  Log P 1.935311 
Molar Refractivity 41.1016 cm3 Polarizability 14.563345 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)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
194.5-195.4°C expand Show data source
195-197°C expand Show data source
197 - 199°C expand Show data source
Hydrophobicity(logP)
1.621 expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H4ClN3O2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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