A1A0C

(6M)-6-{2,3-difluoro-5-[2-(methylamino)ethyl]phenyl}-4-methylpyridin-2-amine

Created:	2024-07-30
Last modified:	2025-04-30

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3 entries where A1A0C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of A1A0C

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Chemical Component Summary
Name	(6M)-6-{2,3-difluoro-5-[2-(methylamino)ethyl]phenyl}-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[2,3-bis(fluoranyl)-5-[2-(methylamino)ethyl]phenyl]-4-methyl-pyridin-2-amine
Formula	C₁₅ H₁₇ F₂ N₃
Molecular Weight	277.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(nc(N)c1)c1cc(CCNC)cc(F)c1F
SMILES	CACTVS	3.385	CNCCc1cc(F)c(F)c(c1)c2cc(C)cc(N)n2
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CCNC
Canonical SMILES	CACTVS	3.385	CNCCc1cc(F)c(F)c(c1)c2cc(C)cc(N)n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CCNC
InChI	InChI	1.06	InChI=1S/C15H17F2N3/c1-9-5-13(20-14(18)6-9)11-7-10(3-4-19-2)8-12(16)15(11)17/h5-8,19H,3-4H2,1-2H3,(H2,18,20)
InChIKey	InChI	1.06	NVUAHSFKXLOVDJ-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.