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Home Carboxys 1H-Pyrazole-3-carboxylic acid, 4-(2-pyridinyl)-

1H-Pyrazole-3-carboxylic acid, 4-(2-pyridinyl)-

CAS No.:
1260765-26-1
Catalog Number:
AG000R6Q
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG000R6Q
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-(2-pyridinyl)-
CAS Number:
1260765-26-1
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
IUPAC Name:
4-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)8-6(5-11-12-8)7-3-1-2-4-10-7/h1-5H,(H,11,12)(H,13,14)
InChI Key:
HJVKSEDQRMTXQK-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]cc1c1ccccn1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Multicomponent assembly of anionic and neutral decanuclear copper(II) phosphonate cages. Inorganic chemistry 20120521
From simple to complex: topological evolution and luminescence variation in a copper(I) pyridylpyrazolate system tuned via second ligating spacers. Inorganic chemistry 20110919
Blue-emitting platinum(II) complexes bearing both pyridylpyrazolate chelate and bridging pyrazolate ligands: synthesis, structures, and photophysical properties. Inorganic chemistry 20071224
Interplay between intra- and interligand charge transfer with variation of the axial N-heterocyclic ligand in osmium(II) pyridylpyrazolate complexes: extensive color tuning by phosphorescent solvatochromism. Chemistry (Weinheim an der Bergstrasse, Germany) 20051021
Properties