8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

C12H8FN3O3 — CID 14119225

IUPAC8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
SMILESO=C1NCc2c(C(=O)O)ncn2-c2ccc(F)cc21
InChIInChI=1S/C12H8FN3O3/c13-6-1-2-8-7(3-6)11(17)14-4-9-10(12(18)19)15-5-16(8)9/h1-3,5H,4H2,(H,14,17)(H,18,19)
InChIKeyWAORDMHVTGISOF-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.95
Rot. Bonds1

About 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid (PubChem CID 14119225) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
PubChem CID14119225
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
SMILESO=C1NCc2c(C(=O)O)ncn2-c2ccc(F)cc21
InChIInChI=1S/C12H8FN3O3/c13-6-1-2-8-7(3-6)11(17)14-4-9-10(12(18)19)15-5-16(8)9/h1-3,5H,4H2,(H,14,17)(H,18,19)
InChIKeyWAORDMHVTGISOF-UHFFFAOYSA-N
XLogP0.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
The IUPAC name of 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid (CID 14119225) is 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
The canonical SMILES for 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid is O=C1NCc2c(C(=O)O)ncn2-c2ccc(F)cc21.
What is the InChIKey of 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
The InChIKey is WAORDMHVTGISOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-6-1-2-8-7(3-6)11(17)14-4-9-10(12(18)19)15-5-16(8)9/h1-3,5H,4H2,(H,14,17)(H,18,19).
What are the key properties of 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid has a molecular weight of 261.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid is sourced from PubChem (CID 14119225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).