Home Aldehydes 5-(pyridin-3-yl)-1H-pyrazole-3-carbaldehyde

5-(pyridin-3-yl)-1H-pyrazole-3-carbaldehyde

CAS No.:
1340597-72-9
Catalog Number:
AG018RVE
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
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Product Description
Catalog Number:
AG018RVE
Chemical Name:
5-(pyridin-3-yl)-1H-pyrazole-3-carbaldehyde
CAS Number:
1340597-72-9
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
MDL Number:
MFCD20502034
IUPAC Name:
3-pyridin-3-yl-1H-pyrazole-5-carbaldehyde
InChI:
InChI=1S/C9H7N3O/c13-6-8-4-9(12-11-8)7-2-1-3-10-5-7/h1-6H,(H,11,12)
InChI Key:
BLLKJUXFYPLTML-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c(c1)c1cccnc1
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties