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73841-41-5 molecular structure
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methyl 3-iodopyridine-2-carboxylate

ChemBase ID: 71088
Molecular Formular: C7H6INO2
Molecular Mass: 263.03251
Monoisotopic Mass: 262.94432644
SMILES and InChIs

SMILES:
c1(c(cccn1)I)C(=O)OC
Canonical SMILES:
COC(=O)c1ncccc1I
InChI:
InChI=1S/C7H6INO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3
InChIKey:
ITYQUGKRGXNQSC-UHFFFAOYSA-N

Cite this record

CBID:71088 http://www.chembase.cn/molecule-71088.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-iodopyridine-2-carboxylate
IUPAC Traditional name
methyl 3-iodopyridine-2-carboxylate
Synonyms
Methyl 3-iodopicolinate
CAS Number
73841-41-5
380381-28-2
PubChem SID
162036793
PubChem CID
819397

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 819397 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8738376  LogD (pH = 7.4) 1.8738451 
Log P 1.8738451  Molar Refractivity 48.9169 cm3
Polarizability 19.217422 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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