5-bromanylpyridine-3-carboxylic acid; N2,N2-dimethylquinoline-2,4-diamine

Systemtic Name: 5-bromanylpyridine-3-carboxylic acid; N2,N2-dimethylquinoline-2,4-diamine Openeye Name: 5-bromopyridine-3-carboxylic acid; N2,N2-dimethylquinoline-2,4-diamine CAS Name: 5-bromo-3-pyridinecarboxylic acid; N2,N2-dimethylquinoline-2,4-diamine IUPAC Name: 5-bromopyridine-3-carboxylic acid; 2-N,2-N-dimethylquinoline-2,4-diamine Traditional Name: (4-amino-2-quinolyl)-dimethyl-amine; 5-bromonicotinic acid Formula: C17H17BrN4O2 MolecularWeight: 389.24648

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=CC=CC=C2C(=C1)N.C1=C(C=NC=C1Br)C(=O)O

Isomeric SMILES

CN(C)C1=NC2=CC=CC=C2C(=C1)N.C1=C(C=NC=C1Br)C(=O)O

InChI

InChI=1S/C11H13N3.C6H4BrNO2/c1-14(2)11-7-9(12)8-5-3-4-6-10(8)13-11;7-5-1-4(6(9)10)2-8-3-5/h3-7H,1-2H3,(H2,12,13);1-3H,(H,9,10)