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262353-35-5 molecular structure
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2-iodo-4-methoxypyrimidine

ChemBase ID: 66588
Molecular Formular: C5H5IN2O
Molecular Mass: 236.01047
Monoisotopic Mass: 235.94466079
SMILES and InChIs

SMILES:
c1(nc(ccn1)OC)I
Canonical SMILES:
COc1ccnc(n1)I
InChI:
InChI=1S/C5H5IN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey:
HJMVIKKKZCNEGZ-UHFFFAOYSA-N

Cite this record

CBID:66588 http://www.chembase.cn/molecule-66588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-iodo-4-methoxypyrimidine
IUPAC Traditional name
2-iodo-4-methoxypyrimidine
Synonyms
2-Iodo-4-methoxypyrimidine
CAS Number
262353-35-5
MDL Number
MFCD08275719
PubChem SID
162032325
PubChem CID
11806622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11806622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5323794  LogD (pH = 7.4) 1.5323822 
Log P 1.5323824  Molar Refractivity 42.2021 cm3
Polarizability 16.616663 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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