Home > Compound List > Compound details
67515-76-8 molecular structure
click picture or here to close

methyl 5-aminopyridine-2-carboxylate

ChemBase ID: 63284
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
n1c(C(=O)OC)ccc(c1)N
Canonical SMILES:
COC(=O)c1ccc(cn1)N
InChI:
InChI=1S/C7H8N2O2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,8H2,1H3
InChIKey:
LJYSUEZSIXOJFK-UHFFFAOYSA-N

Cite this record

CBID:63284 http://www.chembase.cn/molecule-63284.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 5-aminopyridine-2-carboxylate
IUPAC Traditional name
methyl 5-aminopyridine-2-carboxylate
Synonyms
Methyl 5-amino-pyridine-2-carboxylate
Methyl 5-aminopyridine-2-carboxylate
CAS Number
67515-76-8
MDL Number
MFCD07783939
PubChem SID
162029023
PubChem CID
12457877

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.11561169  LogD (pH = 7.4) 0.11597015 
Log P 0.115974724  Molar Refractivity 40.2548 cm3
Polarizability 15.030372 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
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
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