HRF

5-(benzylamino)pyridine-2,4-dicarboxylic acid

Created:	2021-01-29
Last modified:	2022-02-02

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1 entries where HRF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of HRF

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Chemical Component Summary
Name	5-(benzylamino)pyridine-2,4-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	5-[(phenylmethyl)amino]pyridine-2,4-dicarboxylic acid
Formula	C₁₄ H₁₂ N₂ O₄
Molecular Weight	272.256
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20)
InChIKey	InChI	1.03	FQCUGQSKLCNUQT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	162423076

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