Home > Compound List > Compound details
35441-11-3 molecular structure
click picture or here to close

2,6-dihydroxypyridine-3-carboxamide

ChemBase ID: 149291
Molecular Formular: C6H6N2O3
Molecular Mass: 154.12344
Monoisotopic Mass: 154.03784206
SMILES and InChIs

SMILES:
c1cc(nc(c1C(=O)N)O)O
Canonical SMILES:
NC(=O)c1ccc(nc1O)O
InChI:
InChI=1S/C6H6N2O3/c7-5(10)3-1-2-4(9)8-6(3)11/h1-2H,(H2,7,10)(H2,8,9,11)
InChIKey:
UYYJYLJAFBVFJW-UHFFFAOYSA-N

Cite this record

CBID:149291 http://www.chembase.cn/molecule-149291.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dihydroxypyridine-3-carboxamide
IUPAC Traditional name
2,6-dihydroxypyridine-3-carboxamide
Synonyms
2,6-Dihydroxynicotinamide
2,6-二羟基烟酰胺
CAS Number
35441-11-3
MDL Number
MFCD00239429
PubChem SID
24861712
162243459
PubChem CID
5163973

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
349828 external link Add to cart Please log in.
Data Source Data ID
PubChem 5163973 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.026501  H Acceptors
H Donor LogD (pH = 5.5) 0.83798534 
LogD (pH = 7.4) 0.8369895  Log P 0.8379981 
Molar Refractivity 37.5683 cm3 Polarizability 13.619547 Å3
Polar Surface Area 96.44 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
249 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38-41 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
Impurities
<5% ammonium chloride expand Show data source
Empirical Formula (Hill Notation)
C6H6N2O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 349828 external link
Packaging
1 g in glass bottle
250 mg 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