Home > Compound List > Compound details
1227597-35-4 molecular structure
click picture or here to close

2-fluoro-5-methoxypyridine-3-carbaldehyde

ChemBase ID: 801215
Molecular Formular: C7H6FNO2
Molecular Mass: 155.1264432
Monoisotopic Mass: 155.03825666
SMILES and InChIs

SMILES:
c1c(c(ncc1OC)F)C=O
Canonical SMILES:
COc1cnc(c(c1)C=O)F
InChI:
InChI=1S/C7H6FNO2/c1-11-6-2-5(4-10)7(8)9-3-6/h2-4H,1H3
InChIKey:
BGSMTHVPPMDACW-UHFFFAOYSA-N

Cite this record

CBID:801215 http://www.chembase.cn/molecule-801215.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-5-methoxypyridine-3-carbaldehyde
IUPAC Traditional name
2-fluoro-5-methoxypyridine-3-carbaldehyde
Synonyms
2-FLUORO-5-METHOXYNICOTINALDEHYDE
CAS Number
1227597-35-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17544 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17544 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) 0.8470371  LogD (pH = 7.4) 0.8470371 
Log P 0.8470371  Molar Refractivity 38.1794 cm3
Polarizability 13.63316 Å3 Polar Surface Area 39.19 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