Home > Compound List > Compound details
33919-50-5 molecular structure
click picture or here to close

methyl 5-acetamidopyridine-2-carboxylate

ChemBase ID: 804020
Molecular Formular: C9H10N2O3
Molecular Mass: 194.1873
Monoisotopic Mass: 194.06914219
SMILES and InChIs

SMILES:
n1c(ccc(c1)NC(=O)C)C(=O)OC
Canonical SMILES:
COC(=O)c1ccc(cn1)NC(=O)C
InChI:
InChI=1S/C9H10N2O3/c1-6(12)11-7-3-4-8(10-5-7)9(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKey:
XKCNUJFWBOBWNV-UHFFFAOYSA-N

Cite this record

CBID:804020 http://www.chembase.cn/molecule-804020.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 5-acetamidopyridine-2-carboxylate
IUPAC Traditional name
methyl 5-acetamidopyridine-2-carboxylate
Synonyms
METHYL 5-ACETAMIDOPYRIDINE-2-CARBOXYLATE
CAS Number
33919-50-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20804 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20804 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.466213  H Acceptors
H Donor LogD (pH = 5.5) 0.18258213 
LogD (pH = 7.4) 0.18260714  Log P 0.18261105 
Molar Refractivity 50.4174 cm3 Polarizability 18.800055 Å3
Polar Surface Area 68.29 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