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23003-30-7 molecular structure
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2-iodo-6-methylpyridin-3-ol

ChemBase ID: 67785
Molecular Formular: C6H6INO
Molecular Mass: 235.02241
Monoisotopic Mass: 234.94941182
SMILES and InChIs

SMILES:
c1(c(ccc(n1)C)O)I
Canonical SMILES:
Cc1ccc(c(n1)I)O
InChI:
InChI=1S/C6H6INO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
InChIKey:
HRZOWBGCOJWHDY-UHFFFAOYSA-N

Cite this record

CBID:67785 http://www.chembase.cn/molecule-67785.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-iodo-6-methylpyridin-3-ol
IUPAC Traditional name
2-iodo-6-methylpyridin-3-ol
Synonyms
3-Hydroxy-2-iodo-6-methylpyridine
2-Iodo-6-methyl-3-pyridinol
6-Iodo-2-picolin-5-ol
3-Hydroxy-2-iodo-6-methylpyridine
2-iodo-6-methylpyridin-3-ol
6-甲基-2-碘-3-吡啶醇
6-碘-2-甲吡啶-5-醇
3-羟基-2-碘-6-甲基吡啶
CAS Number
23003-30-7
EC Number
245-376-9
MDL Number
MFCD00006246
PubChem SID
24847382
162033520
PubChem CID
89957

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.019264  H Acceptors
H Donor LogD (pH = 5.5) 1.5432783 
LogD (pH = 7.4) 1.4534161  Log P 1.5449103 
Molar Refractivity 43.5441 cm3 Polarizability 17.180912 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
197-199 °C(lit.) expand Show data source
Hydrophobicity(logP)
1.912 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C6H6INO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 119024 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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