Home > Compound List > Compound details
105612-50-8 molecular structure
click picture or here to close

2-methoxypyridine-4-carboxamide

ChemBase ID: 86670
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
n1c(cc(cc1)C(=O)N)OC
Canonical SMILES:
COc1nccc(c1)C(=O)N
InChI:
InChI=1S/C7H8N2O2/c1-11-6-4-5(7(8)10)2-3-9-6/h2-4H,1H3,(H2,8,10)
InChIKey:
OWHCHZOJASPGLJ-UHFFFAOYSA-N

Cite this record

CBID:86670 http://www.chembase.cn/molecule-86670.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxypyridine-4-carboxamide
IUPAC Traditional name
2-methoxypyridine-4-carboxamide
Synonyms
2-Methoxyisonicotinamide
CAS Number
105612-50-8
MDL Number
MFCD00174337
PubChem SID
162073786
PubChem CID
2746285

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2746285 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.3495245  H Acceptors
H Donor LogD (pH = 5.5) 0.042968817 
LogD (pH = 7.4) 0.04299999  Log P 0.04299995 
Molar Refractivity 39.7562 cm3 Polarizability 14.827973 Å3
Polar Surface Area 65.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant 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