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856834-65-6 molecular structure
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4-chloro-2-methyl-5-nitropyridine

ChemBase ID: 801523
Molecular Formular: C6H5ClN2O2
Molecular Mass: 172.5691
Monoisotopic Mass: 172.00395509
SMILES and InChIs

SMILES:
n1c(cc(c(c1)[N+](=O)[O-])Cl)C
Canonical SMILES:
[O-][N+](=O)c1cnc(cc1Cl)C
InChI:
InChI=1S/C6H5ClN2O2/c1-4-2-5(7)6(3-8-4)9(10)11/h2-3H,1H3
InChIKey:
JIDYHMKFZYTPEA-UHFFFAOYSA-N

Cite this record

CBID:801523 http://www.chembase.cn/molecule-801523.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-methyl-5-nitropyridine
IUPAC Traditional name
4-chloro-2-methyl-5-nitropyridine
Synonyms
4-CHLORO-2-METHYL-5-NITRO-PYRIDINE
CAS Number
856834-65-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17882 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17882 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) 1.4309688  LogD (pH = 7.4) 1.4309723 
Log P 1.4309725  Molar Refractivity 39.6179 cm3
Polarizability 15.097401 Å3 Polar Surface Area 56.03 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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