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607373-83-1 molecular structure
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2-chloro-4-methoxy-5-nitropyridine

ChemBase ID: 90444
Molecular Formular: C6H5ClN2O3
Molecular Mass: 188.5685
Monoisotopic Mass: 187.99886971
SMILES and InChIs

SMILES:
n1c(cc(c(c1)[N+](=O)[O-])OC)Cl
Canonical SMILES:
COc1cc(Cl)ncc1[N+](=O)[O-]
InChI:
InChI=1S/C6H5ClN2O3/c1-12-5-2-6(7)8-3-4(5)9(10)11/h2-3H,1H3
InChIKey:
IDLQBYAYVNBGGL-UHFFFAOYSA-N

Cite this record

CBID:90444 http://www.chembase.cn/molecule-90444.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-methoxy-5-nitropyridine
IUPAC Traditional name
2-chloro-4-methoxy-5-nitropyridine
Synonyms
2-Chloro-4-methoxy-5-nitropyridine
CAS Number
607373-83-1
MDL Number
MFCD09907961
PubChem SID
162077252
PubChem CID
44119673

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR60105 external link Add to cart Please log in.
Data Source Data ID
PubChem 44119673 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3621081  LogD (pH = 7.4) 1.3621081 
Log P 1.3621081  Molar Refractivity 43.5551 cm3
Polarizability 15.952615 Å3 Polar Surface Area 67.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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