5-bromanylpyridine-3-carboxylic acid; 3,3-dimethyl-4H-acridin-9-amine

Systemtic Name: 5-bromanylpyridine-3-carboxylic acid; 3,3-dimethyl-4H-acridin-9-amine Openeye Name: 5-bromopyridine-3-carboxylic acid; 3,3-dimethyl-4H-acridin-9-amine CAS Name: 5-bromo-3-pyridinecarboxylic acid; 3,3-dimethyl-4H-acridin-9-amine IUPAC Name: 5-bromopyridine-3-carboxylic acid; 3,3-dimethyl-4H-acridin-9-amine Traditional Name: 5-bromonicotinic acid; (3,3-dimethyl-4H-acridin-9-yl)amine Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC3=CC=CC=C3C(=C2C=C1)N)C.C1=C(C=NC=C1Br)C(=O)O

Isomeric SMILES

CC1(CC2=NC3=CC=CC=C3C(=C2C=C1)N)C.C1=C(C=NC=C1Br)C(=O)O

InChI

InChI=1S/C15H16N2.C6H4BrNO2/c1-15(2)8-7-11-13(9-15)17-12-6-4-3-5-10(12)14(11)16;7-5-1-4(6(9)10)2-8-3-5/h3-8H,9H2,1-2H3,(H2,16,17);1-3H,(H,9,10)