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1074-76-6 molecular structure
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2,4-dimethyl-3-nitropyridine

ChemBase ID: 92420
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
n1c(c(c(cc1)C)[N+](=O)[O-])C
Canonical SMILES:
[O-][N+](=O)c1c(C)ccnc1C
InChI:
InChI=1S/C7H8N2O2/c1-5-3-4-8-6(2)7(5)9(10)11/h3-4H,1-2H3
InChIKey:
MOQKFCFVTVIJJS-UHFFFAOYSA-N

Cite this record

CBID:92420 http://www.chembase.cn/molecule-92420.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dimethyl-3-nitropyridine
IUPAC Traditional name
2,4-dimethyl-3-nitropyridine
Synonyms
2,4-Dimethyl-3-nitropyridine 97%
2,4-dimethyl-3-nitropyridine
CAS Number
1074-76-6
MDL Number
MFCD08235269
PubChem SID
162079118
PubChem CID
13717481

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13717481 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3398232  LogD (pH = 7.4) 1.3403425 
Log P 1.3403491  Molar Refractivity 39.8543 cm3
Polarizability 14.861578 Å3 Polar Surface Area 56.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.406 expand Show data source
Storage Warning
Irritant expand Show data source
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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