PD2

PYRIDINE-2,4-DICARBOXYLIC ACID

Created:	2006-04-07
Last modified:	2011-06-04

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16 entries where PD2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of PD2

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Chemical Component Summary
Name	PYRIDINE-2,4-DICARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	pyridine-2,4-dicarboxylic acid
Formula	C₇ H₅ N O₄
Molecular Weight	167.119
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1nccc(C(=O)O)c1
SMILES	CACTVS	3.341	OC(=O)c1ccnc(c1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cnc(cc1C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1ccnc(c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cnc(cc1C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey	InChI	1.03	MJIVRKPEXXHNJT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL316034
PubChem	10365
ChEMBL	CHEMBL316034
ChEBI	CHEBI:44737
CCDC/CSD	SITCUU, NUQHIR

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