T2E

5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid

Created:	2020-12-13
Last modified:	2022-01-12

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1 entries where T2E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of T2E

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Chemical Component Summary
Name	5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid
Systematic Name (OpenEye OEToolkits)	5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid
Formula	C₁₃ H₁₃ N₃ O₂
Molecular Weight	243.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc(NCc2cccnc2)c(c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)CNc2ccc(cc2C(=O)O)N
Canonical SMILES	CACTVS	3.385	Nc1ccc(NCc2cccnc2)c(c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)CNc2ccc(cc2C(=O)O)N
InChI	InChI	1.03	InChI=1S/C13H13N3O2/c14-10-3-4-12(11(6-10)13(17)18)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18)
InChIKey	InChI	1.03	QEGXPJYAQLFLGN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	808768

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