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24903-85-3 molecular structure
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5-nitro-2-(propan-2-yloxy)pyridine

ChemBase ID: 807162
Molecular Formular: C8H10N2O3
Molecular Mass: 182.1766
Monoisotopic Mass: 182.06914219
SMILES and InChIs

SMILES:
n1c(ccc(c1)[N+](=O)[O-])OC(C)C
Canonical SMILES:
CC(Oc1ccc(cn1)[N+](=O)[O-])C
InChI:
InChI=1S/C8H10N2O3/c1-6(2)13-8-4-3-7(5-9-8)10(11)12/h3-6H,1-2H3
InChIKey:
IPNGFHRHLNQRKO-UHFFFAOYSA-N

Cite this record

CBID:807162 http://www.chembase.cn/molecule-807162.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-nitro-2-(propan-2-yloxy)pyridine
IUPAC Traditional name
2-isopropoxy-5-nitropyridine
Synonyms
2-ISOPROPOXY-5-NITRO-PYRIDINE
CAS Number
24903-85-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25098 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25098 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9057268  LogD (pH = 7.4) 1.9057268 
Log P 1.9057268  Molar Refractivity 46.1657 cm3
Polarizability 17.560127 Å3 Polar Surface Area 65.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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