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31557-73-0 molecular structure
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2-ethyl-5-nitropyridine

ChemBase ID: 289262
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
O=[N+](c1cnc(CC)cc1)[O-]
Canonical SMILES:
CCc1ccc(cn1)[N+](=O)[O-]
InChI:
InChI=1S/C7H8N2O2/c1-2-6-3-4-7(5-8-6)9(10)11/h3-5H,2H2,1H3
InChIKey:
VUTMOONWKQEUBX-UHFFFAOYSA-N

Cite this record

CBID:289262 http://www.chembase.cn/molecule-289262.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyl-5-nitropyridine
IUPAC Traditional name
2-ethyl-5-nitropyridine
Synonyms
2-Ethyl-5-nitropyridine
CAS Number
31557-73-0
MDL Number
MFCD03617763
PubChem SID
180674793
PubChem CID
4586382

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD218245 Please log in.
Data Source Data ID
PubChem 4586382 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5274572  LogD (pH = 7.4) 1.5274636 
Log P 1.5274636  Molar Refractivity 39.44 cm3
Polarizability 14.932517 Å3 Polar Surface Area 56.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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