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4487-50-7 molecular structure
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4-nitropyridin-2-amine

ChemBase ID: 76851
Molecular Formular: C5H5N3O2
Molecular Mass: 139.1121
Monoisotopic Mass: 139.03817642
SMILES and InChIs

SMILES:
n1c(cc(cc1)[N+](=O)[O-])N
Canonical SMILES:
Nc1nccc(c1)[N+](=O)[O-]
InChI:
InChI=1S/C5H5N3O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H,(H2,6,7)
InChIKey:
DBDHHHBAZZYVJG-UHFFFAOYSA-N

Cite this record

CBID:76851 http://www.chembase.cn/molecule-76851.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-nitropyridin-2-amine
IUPAC Traditional name
4-nitropyridin-2-amine
Synonyms
4-Nitropyridin-2-amine
2-Amino-4-nitropyridine
4-nitropyridin-2-amine
CAS Number
4487-50-7
MDL Number
MFCD04114148
PubChem SID
162041753
PubChem CID
2762822

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.46049434  LogD (pH = 7.4) 0.46108165 
Log P 0.46108916  Molar Refractivity 35.2355 cm3
Polarizability 12.527809 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
96 - 98°C expand Show data source
Hydrophobicity(logP)
0.325 expand Show data source
Storage Warning
Irritant/Keep Cold expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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