1-[2,3-bis(azanyl)-5-[chloranyl-bis(fluoranyl)methyl]pyridin-4-yl]prop-2-yn-1-one

Systemtic Name: 1-[2,3-bis(azanyl)-5-[chloranyl-bis(fluoranyl)methyl]pyridin-4-yl]prop-2-yn-1-one Openeye Name: 1-[2,3-diamino-5-[chloro(difluoro)methyl]-4-pyridyl]prop-2-yn-1-one CAS Name: 1-[2,3-diamino-5-[chloro(difluoro)methyl]-4-pyridinyl]-2-propyn-1-one IUPAC Name: 1-[2,3-diamino-5-[chloro(difluoro)methyl]pyridin-4-yl]prop-2-yn-1-one Traditional Name: 1-[2,3-diamino-5-[chloro(difluoro)methyl]-4-pyridyl]prop-2-yn-1-one Formula: C9H6ClF2N3O MolecularWeight: 245.613246

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)C1=C(C(=NC=C1C(F)(F)Cl)N)N

Isomeric SMILES

C#CC(=O)C1=C(C(=NC=C1C(F)(F)Cl)N)N

InChI

InChI=1S/C9H6ClF2N3O/c1-2-5(16)6-4(9(10,11)12)3-15-8(14)7(6)13/h1,3H,13H2,(H2,14,15)