Home > Compound List > Compound details
32399-13-6 molecular structure
click picture or here to close

2-(methylamino)pyridine-3-carboxylic acid

ChemBase ID: 33539
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
c1(C(=O)O)c(nccc1)NC
Canonical SMILES:
CNc1ncccc1C(=O)O
InChI:
InChI=1S/C7H8N2O2/c1-8-6-5(7(10)11)3-2-4-9-6/h2-4H,1H3,(H,8,9)(H,10,11)
InChIKey:
SMYTUBMIBZOXTH-UHFFFAOYSA-N

Cite this record

CBID:33539 http://www.chembase.cn/molecule-33539.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methylamino)pyridine-3-carboxylic acid
IUPAC Traditional name
2-(methylamino)pyridine-3-carboxylic acid
Synonyms
2-(Methylamino)nicotinic acid
2-Methylaminonicotinic acid
2-(Methylamino)pyridine-3-carboxylic acid
2-(methylamino)pyridine-3-carboxylic acid
CAS Number
32399-13-6
MDL Number
MFCD00128789
PubChem SID
160996846
PubChem CID
4738517

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.5212286  H Acceptors
H Donor LogD (pH = 5.5) -0.5466976 
LogD (pH = 7.4) -1.2184616  Log P -0.5312171 
Molar Refractivity 41.6646 cm3 Polarizability 14.783831 Å3
Polar Surface Area 62.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
220 - 222°C expand Show data source
250-255 °C expand Show data source
Hydrophobicity(logP)
1.954 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
43 expand Show data source
Safety Statements
36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H317 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C7H8N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 737089 external link
Packaging
1 g in glass bottle

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