Home > Compound List > Compound details
944904-93-2 molecular structure
click picture or here to close

2-(4-fluorophenyl)pyrimidine-5-carbaldehyde

ChemBase ID: 804064
Molecular Formular: C11H7FN2O
Molecular Mass: 202.1844832
Monoisotopic Mass: 202.05424107
SMILES and InChIs

SMILES:
c1(cnc(nc1)c1ccc(cc1)F)C=O
Canonical SMILES:
O=Cc1cnc(nc1)c1ccc(cc1)F
InChI:
InChI=1S/C11H7FN2O/c12-10-3-1-9(2-4-10)11-13-5-8(7-15)6-14-11/h1-7H
InChIKey:
SIOJHESLZIPEKQ-UHFFFAOYSA-N

Cite this record

CBID:804064 http://www.chembase.cn/molecule-804064.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-fluorophenyl)pyrimidine-5-carbaldehyde
IUPAC Traditional name
2-(4-fluorophenyl)pyrimidine-5-carbaldehyde
Synonyms
2-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBALDEHYDE
CAS Number
944904-93-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20900 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20900 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2527926  LogD (pH = 7.4) 2.2527983 
Log P 2.2527983  Molar Refractivity 64.9338 cm3
Polarizability 20.37383 Å3 Polar Surface Area 42.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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