Home > Compound List > Compound details
4349-08-0 molecular structure
click picture or here to close

5-chloropyrimidin-4-ol

ChemBase ID: 67835
Molecular Formular: C4H3ClN2O
Molecular Mass: 130.53242
Monoisotopic Mass: 129.99339041
SMILES and InChIs

SMILES:
c1nc(c(cn1)Cl)O
Canonical SMILES:
Clc1cncnc1O
InChI:
InChI=1S/C4H3ClN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
InChIKey:
JPSKJAPKTIXPSV-UHFFFAOYSA-N

Cite this record

CBID:67835 http://www.chembase.cn/molecule-67835.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloropyrimidin-4-ol
IUPAC Traditional name
5-chloropyrimidin-4-ol
Synonyms
5-Chloropyrimidin-4-ol
CAS Number
4349-08-0
MDL Number
MFCD09750156
PubChem SID
162033570
PubChem CID
3257268

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3257268 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.499226  H Acceptors
H Donor LogD (pH = 5.5) 0.9446662 
LogD (pH = 7.4) 0.944332  Log P 0.94467235 
Molar Refractivity 29.8215 cm3 Polarizability 11.181042 Å3
Polar Surface Area 46.01 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

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