4-chloranyl-1-pentyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-chloranyl-1-pentyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-chloro-1-pentyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-chloro-1-pentyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-chloro-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 1-amyl-4-chloro-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C12H14ClN3O2 MolecularWeight: 267.71146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC=C(C(=C2C=N1)Cl)C(=O)O

Isomeric SMILES

CCCCCN1C2=NC=C(C(=C2C=N1)Cl)C(=O)O

InChI

InChI=1S/C12H14ClN3O2/c1-2-3-4-5-16-11-8(7-15-16)10(13)9(6-14-11)12(17)18/h6-7H,2-5H2,1H3,(H,17,18)