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101512-21-4,MFCD01199201
Catalog No.:AA0004LK
101512-21-4 | 5-Hydroxynicotinamide
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Technical Information
Catalog Number:
AA0004LK
Chemical Name:
5-Hydroxynicotinamide
CAS Number:
101512-21-4
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD01199201
IUPAC Name:
5-hydroxypyridine-3-carboxamide
InChI:
InChI=1S/C6H6N2O2/c7-6(10)4-1-5(9)3-8-2-4/h1-3,9H,(H2,7,10)
InChI Key:
UIJCDEKRKCCYIF-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(O)cnc1
NSC Number:
605536
Properties
Computed Properties
 
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

Synonyms
 
5-Hydroxynicotinamide 
101512-21-4 
SCHEMBL458871 
3-Pyridinecarboxamide,5-hydroxy 
5-oxidanylpyridine-3-carboxamide 
AMPD00082 
DTXSID30143974 
UIJCDEKRKCCYIF-UHFFFAOYSA-N 
ZINC508013 
AC1L7430 
CH-809 
MFCD01199201 
3-Pyridinecarboxamide, 5-hydroxy- 
NSC605536 
STK531094 
AKOS004110716 
AKOS005463885 
AM85412 
MB01725 
MCULE-1050286600 
NSC-605536 
AJ-23253 
LS-130635 
5-hydroxypyridine-3-carboxamide 
CS-0062251 
W-8107 
A800397 
AT-057/40262598 
Z1382724049 
5-Hydroxy-3-pyridinecarboxylic acid 
C6-H6-N2-O2 
CID354313 
3-Pyridinecarboxamide, 5-hydroxy- (9CI) 
5-hydroxy-3-pyridinecarboxamide 
BRN 5499772 
5-Carbamoylpyridinium-3-olate 
AC1Q5FVI 
Oprea1_770429 
5-Hydroxynicotinic acid amide 
Literature
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