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1142191-71-6 molecular structure
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N-[(2-chloro-4-iodopyridin-3-yl)methylidene]hydroxylamine

ChemBase ID: 800443
Molecular Formular: C6H4ClIN2O
Molecular Mass: 282.46623
Monoisotopic Mass: 281.90568844
SMILES and InChIs

SMILES:
c1(c(c(ncc1)Cl)C=NO)I
Canonical SMILES:
ON=Cc1c(I)ccnc1Cl
InChI:
InChI=1S/C6H4ClIN2O/c7-6-4(3-10-11)5(8)1-2-9-6/h1-3,11H
InChIKey:
ABKINKACNRUTLY-UHFFFAOYSA-N

Cite this record

CBID:800443 http://www.chembase.cn/molecule-800443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-chloro-4-iodopyridin-3-yl)methylidene]hydroxylamine
IUPAC Traditional name
N-[(2-chloro-4-iodopyridin-3-yl)methylidene]hydroxylamine
Synonyms
2-Chloro-4-iodonicotinaldehyde oxime
CAS Number
1142191-71-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O16435 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O16435 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.2133827  H Acceptors
H Donor LogD (pH = 5.5) 2.2224314 
LogD (pH = 7.4) 1.8292298  Log P 2.230722 
Molar Refractivity 53.5354 cm3 Polarizability 20.063992 Å3
Polar Surface Area 45.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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