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36404-89-4,MFCD09909918
Catalog No.:AA003HD0
36404-89-4 | 2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde
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Technical Information
Catalog Number:
AA003HD0
Chemical Name:
2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde
CAS Number:
36404-89-4
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD09909918
IUPAC Name:
2-oxo-1H-pyridine-3-carbaldehyde
InChI:
InChI=1S/C6H5NO2/c8-4-5-2-1-3-7-6(5)9/h1-4H,(H,7,9)
InChI Key:
DNTYEVWEOFZXFE-UHFFFAOYSA-N
SMILES:
O=c1c(C=O)ccc[nH]1
Properties
Computed Properties
 
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Synonyms
 
2-hydroxynicotinaldehyde 
36404-89-4 
hydroxynicotinaldehyde 
AC1OERRV 
PubChem17177 
ACMC-209imb 
ACMC-1AJIU 
oxodihydropyridinecarbaldehyde 
KSC497M5R 
2-Hydroxynicotinaldehyde, 97% 
SCHEMBL1413944 
CTK3J7658 
2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde 
DTXSID10427668 
DNTYEVWEOFZXFE-UHFFFAOYSA-N 
2-hydroxy-3-pyridinecarboxaldehyde 
BH372 
ALBB-022939 
EBD53399 
ZINC3883730 
ANW-28401 
CH-634 
MFCD07698588 
2-oxo-1,2-dihydropyridine-3-carbaldehyde 
AKOS005070038 
AKOS015856226 
AB55041 
CS-W003412 
LS21175 
RP09657 
RTR-014917 
VP11538 
AC-23747 
AJ-46865 
2-Hydroxy-pyridine-3-carbaldehyde 
AK-23653 
BR-23653 
CJ-11132 
EN002549 
SC-27712 
SY021292 
2-oxo-1,2-dihydro-pyridine-3-carbaldehyde 
2-oxo-1,2-dihydropyridine-3-carboxaldehyde 
AB0024491 
AB0078496 
32768-36-8 
TR-014917 
4CH-003006 
A6296 
AM20070207 
C2638 
FT-0648018 
TL80073454 
W5776 
A-2650 
MFCD07698588 (97+%) 
3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo- 
2Z-0720 
404O894 
I02-2206 
J-510203 
2-oxo-1,2-dihydro-3-pyridinecarbaldehyde, AldrichCPR 
2-cyanoacetyl Chloride 
C6H5NO2 
ZINC03883730 
CID7062196 
2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde, 95% - 1G 1g 
2-oxo-1H-pyridine-3-carbaldehyde 
2-HYDROXYPYRIDINE-3-CARBOXALDEHYDE 
formylpyridone 
Literature

Title: 2-Pyridone and derivatives: gas-phase acidity, proton affinity, tautomer preference, and leaving group ability.

Journal: The Journal of organic chemistry 20120217

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