A1CFX

3-{[(pyridin-2-yl)amino]methyl}phenol

Created:	2025-06-09
Last modified:	2025-11-05

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1 entries where A1CFX 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 A1CFX

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Chemical Component Summary
Name	3-{[(pyridin-2-yl)amino]methyl}phenol
Systematic Name (OpenEye OEToolkits)	3-[(pyridin-2-ylamino)methyl]phenol
Formula	C₁₂ H₁₂ N₂ O
Molecular Weight	200.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Oc1cccc(CNc2ccccn2)c1
SMILES	CACTVS	3.385	Oc1cccc(CNc2ccccn2)c1
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccnc(c1)NCc2cccc(c2)O
Canonical SMILES	CACTVS	3.385	Oc1cccc(CNc2ccccn2)c1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccnc(c1)NCc2cccc(c2)O
InChI	InChI	1.06	InChI=1S/C12H12N2O/c15-11-5-3-4-10(8-11)9-14-12-6-1-2-7-13-12/h1-8,15H,9H2,(H,13,14)
InChIKey	InChI	1.06	ZGLJYAOGVJLKLM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	28338550

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