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55304-90-0 molecular structure
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(2,6-dichloropyridin-3-yl)methanol

ChemBase ID: 43838
Molecular Formular: C6H5Cl2NO
Molecular Mass: 178.016
Monoisotopic Mass: 176.97481915
SMILES and InChIs

SMILES:
n1c(c(ccc1Cl)CO)Cl
Canonical SMILES:
OCc1ccc(nc1Cl)Cl
InChI:
InChI=1S/C6H5Cl2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2
InChIKey:
FWEVVZQDRPWAND-UHFFFAOYSA-N

Cite this record

CBID:43838 http://www.chembase.cn/molecule-43838.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,6-dichloropyridin-3-yl)methanol
IUPAC Traditional name
(2,6-dichloropyridin-3-yl)methanol
Synonyms
(2,6-Dichloropyridin-3-yl)methanol
2,6-Dichloro-3-pyridinemethanol
(2,6-Dichloro-3-pyridinyl)methanol
CAS Number
55304-90-0
MDL Number
MFCD11036367
PubChem SID
162048601
PubChem CID
12259932

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.385044  H Acceptors
H Donor LogD (pH = 5.5) 1.6366674 
LogD (pH = 7.4) 1.6366673  Log P 1.6366674 
Molar Refractivity 42.4492 cm3 Polarizability 15.855881 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
67 - 69 °C expand Show data source
67-69°C expand Show data source
67-69°C 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
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
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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