Home > Compound List > Compound details
37554-70-4 molecular structure
click picture or here to close

2-chloro-5-fluoro-4-methoxypyrimidine

ChemBase ID: 71940
Molecular Formular: C5H4ClFN2O
Molecular Mass: 162.5494632
Monoisotopic Mass: 161.99961866
SMILES and InChIs

SMILES:
c1nc(nc(c1F)OC)Cl
Canonical SMILES:
COc1nc(Cl)ncc1F
InChI:
InChI=1S/C5H4ClFN2O/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3
InChIKey:
HLVJKADQILYNGE-UHFFFAOYSA-N

Cite this record

CBID:71940 http://www.chembase.cn/molecule-71940.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-fluoro-4-methoxypyrimidine
IUPAC Traditional name
2-chloro-5-fluoro-4-methoxypyrimidine
Synonyms
2-Chloro-5-fluoro-4-methoxypyrimidine
CAS Number
37554-70-4
MDL Number
MFCD07440062
PubChem SID
162037243
PubChem CID
13530704

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13530704 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.537774  LogD (pH = 7.4) 1.537774 
Log P 1.537774  Molar Refractivity 35.214 cm3
Polarizability 12.9682255 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
37.6-39°C expand Show data source
Flash Point
>110°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
MSDS Link
Download 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