A1CFJ

2-(2,6-dichloroanilino)pyridine-3-sulfonic acid

Created:	2025-06-09
Last modified:	2026-02-04

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2 entries where A1CFJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of A1CFJ

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Chemical Component Summary
Name	2-(2,6-dichloroanilino)pyridine-3-sulfonic acid
Systematic Name (OpenEye OEToolkits)	2-[[2,6-bis(chloranyl)phenyl]amino]pyridine-3-sulfonic acid
Formula	C₁₁ H₈ Cl₂ N₂ O₃ S
Molecular Weight	319.164
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S(=O)(O)c1cccnc1Nc1c(Cl)cccc1Cl
SMILES	CACTVS	3.385	O[S](=O)(=O)c1cccnc1Nc2c(Cl)cccc2Cl
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(c(c(c1)Cl)Nc2c(cccn2)S(=O)(=O)O)Cl
Canonical SMILES	CACTVS	3.385	O[S](=O)(=O)c1cccnc1Nc2c(Cl)cccc2Cl
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(c(c(c1)Cl)Nc2c(cccn2)S(=O)(=O)O)Cl
InChI	InChI	1.06	InChI=1S/C11H8Cl2N2O3S/c12-7-3-1-4-8(13)10(7)15-11-9(19(16,17)18)5-2-6-14-11/h1-6H,(H,14,15)(H,16,17,18)
InChIKey	InChI	1.06	WLGWVYUEDPSKLN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1825806, 1825807

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