A1A0B

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

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

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3 entries where A1A0B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of A1A0B

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Chemical Component Summary
Name	(6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[2,3-bis(fluoranyl)-5-(methylaminomethyl)phenyl]-4-methyl-pyridin-2-amine
Formula	C₁₄ H₁₅ F₂ N₃
Molecular Weight	263.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(nc(N)c1)c1cc(CNC)cc(F)c1F
SMILES	CACTVS	3.385	CNCc1cc(F)c(F)c(c1)c2cc(C)cc(N)n2
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CNC
Canonical SMILES	CACTVS	3.385	CNCc1cc(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)CNC
InChI	InChI	1.06	InChI=1S/C14H15F2N3/c1-8-3-12(19-13(17)4-8)10-5-9(7-18-2)6-11(15)14(10)16/h3-6,18H,7H2,1-2H3,(H2,17,19)
InChIKey	InChI	1.06	XVCKDVNNJHQEHU-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.