Home > Compound List > Compound details
100047-36-7 molecular structure
click picture or here to close

4-aminopyridine-2-carboxylic acid

ChemBase ID: 67632
Molecular Formular: C6H6N2O2
Molecular Mass: 138.12404
Monoisotopic Mass: 138.04292744
SMILES and InChIs

SMILES:
c1(cc(ccn1)N)C(=O)O
Canonical SMILES:
Nc1cc(ncc1)C(=O)O
InChI:
InChI=1S/C6H6N2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKey:
JRZBTJVSAANBEV-UHFFFAOYSA-N

Cite this record

CBID:67632 http://www.chembase.cn/molecule-67632.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminopyridine-2-carboxylic acid
IUPAC Traditional name
4-aminopyridine-2-carboxylic acid
Synonyms
4-Aminopyridine-2-carboxylic acid
4-Aminopicolinic acid
4-Aminopyridine-2-carboxylic acid 97%
4-Aminopyridine-2-carboxylic Acid
4-Aminopicolinic Acid
CAS Number
100047-36-7
MDL Number
MFCD02685671
PubChem SID
162033367
PubChem CID
2050132

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.246582  H Acceptors
H Donor LogD (pH = 5.5) -1.7100266 
LogD (pH = 7.4) -1.7207103  Log P -1.710435 
Molar Refractivity 35.4857 cm3 Polarizability 12.960807 Å3
Polar Surface Area 76.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Melting Point
198 - 200°C expand Show data source
Hydrophobicity(logP)
0.717 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
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
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A627805 external link
A useful synthetic intermediate.

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