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5657-61-4 molecular structure
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N-hydroxypyridine-3-carboxamide

ChemBase ID: 112699
Molecular Formular: C6H6N2O2
Molecular Mass: 138.12404
Monoisotopic Mass: 138.04292744
SMILES and InChIs

SMILES:
ONC(=O)c1cccnc1
Canonical SMILES:
ONC(=O)c1cccnc1
InChI:
InChI=1S/C6H6N2O2/c9-6(8-10)5-2-1-3-7-4-5/h1-4,10H,(H,8,9)
InChIKey:
IYCHDNQCHLMLJZ-UHFFFAOYSA-N

Cite this record

CBID:112699 http://www.chembase.cn/molecule-112699.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-hydroxypyridine-3-carboxamide
IUPAC Traditional name
nicoxamat
Synonyms
NICOTINYL HYDROXAMIC ACID
Nicotinic acid hydroxamate
CAS Number
5657-61-4
MDL Number
MFCD00033801
PubChem SID
162097476
24897905
PubChem CID
71211

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71211 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.299894  H Acceptors
H Donor LogD (pH = 5.5) -0.4008808 
LogD (pH = 7.4) -0.40231332  Log P -0.39696804 
Molar Refractivity 34.7441 cm3 Polarizability 12.944796 Å3
Polar Surface Area 62.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
US4666100 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05225354 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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