SJN

4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid

Created:	2020-11-18
Last modified:	2021-05-19

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1 entries where SJN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of SJN

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Chemical Component Summary
Name	4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
Synonyms	7-methyl-4-oxidanylidene-3~{H}-1,8-naphthyridine-3-carboxylic acid; 1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid; 3-Carboxy-4-hydroxy-7-methyl-1,8-naphthyridine; 5373672
Systematic Name (OpenEye OEToolkits)	7-methyl-4-oxidanylidene-1~{H}-1,8-naphthyridine-3-carboxylic acid
Formula	C₁₀ H₈ N₂ O₃
Molecular Weight	204.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc2C(=O)C(=CNc2n1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(n1)NC=C(C2=O)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1ccc2C(=O)C(=CNc2n1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(n1)NC=C(C2=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKey	InChI	1.03	WHJTTWIMQIGVJK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	83266, 5373672

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