Home > Compound List > Compound details
1196157-47-7 molecular structure
click picture or here to close

4,6-dichloropyridin-3-ol

ChemBase ID: 69415
Molecular Formular: C5H3Cl2NO
Molecular Mass: 163.98942
Monoisotopic Mass: 162.95916908
SMILES and InChIs

SMILES:
c1c(c(cc(n1)Cl)Cl)O
Canonical SMILES:
Clc1ncc(c(c1)Cl)O
InChI:
InChI=1S/C5H3Cl2NO/c6-3-1-5(7)8-2-4(3)9/h1-2,9H
InChIKey:
GJPWOBLZTKMZFN-UHFFFAOYSA-N

Cite this record

CBID:69415 http://www.chembase.cn/molecule-69415.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloropyridin-3-ol
IUPAC Traditional name
4,6-dichloropyridin-3-ol
Synonyms
4,6-Dichloropyridin-3-ol
4,6-Dichloropyridin-3-ol
2,4-Dichloro-5-hydroxypyridine
CAS Number
1196157-47-7
MDL Number
MFCD13190072
PubChem SID
162035141
PubChem CID
46941480

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.8254876  H Acceptors
H Donor LogD (pH = 5.5) 1.860665 
LogD (pH = 7.4) 1.2374324  Log P 1.8802747 
Molar Refractivity 36.5529 cm3 Polarizability 13.9878845 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle