Home Other Building Blocks 6-oxo-N-(prop-2-yn-1-yl)-1,6-dihydropyridine-3-carboxamide

6-oxo-N-(prop-2-yn-1-yl)-1,6-dihydropyridine-3-carboxamide

CAS No.:
1040070-36-7
Catalog Number:
AG01AAIM
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG01AAIM
Chemical Name:
6-oxo-N-(prop-2-yn-1-yl)-1,6-dihydropyridine-3-carboxamide
CAS Number:
1040070-36-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD11174677
IUPAC Name:
6-oxo-N-prop-2-ynyl-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C9H8N2O2/c1-2-5-10-9(13)7-3-4-8(12)11-6-7/h1,3-4,6H,5H2,(H,10,13)(H,11,12)
InChI Key:
QAYNCAVBQFKTOO-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)c1ccc(=O)[nH]c1
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties