ODK

3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid

Created:	2010-08-12
Last modified:	2020-06-05

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1 entries where ODK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	12

2D diagram of ODK

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Chemical Component Summary
Name	3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
Synonyms	5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
Formula	C₉ H₇ N₃ O₂
Molecular Weight	189.171
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1cc(nn1)c2ncccc2
SMILES	CACTVS	3.370	OC(=O)c1[nH]nc(c1)c2ccccn2
SMILES	OpenEye OEToolkits	1.7.0	c1ccnc(c1)c2cc([nH]n2)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)c1[nH]nc(c1)c2ccccn2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccnc(c1)c2cc([nH]n2)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)
InChIKey	InChI	1.03	SJBWHTBPIJXUFP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	665156
ChEMBL	CHEMBL1234945

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