10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid

C12H9FN2O3 — CID 71743273

IUPAC10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)-c1cc(F)ccc1OCC2
InChIInChI=1S/C12H9FN2O3/c13-7-1-2-10-8(5-7)11-14-9(12(16)17)6-15(11)3-4-18-10/h1-2,5-6H,3-4H2,(H,16,17)
InChIKeyJCRWJDDWYTUQOZ-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.78
Rot. Bonds1

About 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid

10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid (PubChem CID 71743273) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid.

Molecular Properties

Compound Name10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid
PubChem CID71743273
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)-c1cc(F)ccc1OCC2
InChIInChI=1S/C12H9FN2O3/c13-7-1-2-10-8(5-7)11-14-9(12(16)17)6-15(11)3-4-18-10/h1-2,5-6H,3-4H2,(H,16,17)
InChIKeyJCRWJDDWYTUQOZ-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid?
The IUPAC name of 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid (CID 71743273) is 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid.
What is the SMILES notation for 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid?
The canonical SMILES for 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid is O=C(O)c1cn2c(n1)-c1cc(F)ccc1OCC2.
What is the InChIKey of 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid?
The InChIKey is JCRWJDDWYTUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-7-1-2-10-8(5-7)11-14-9(12(16)17)6-15(11)3-4-18-10/h1-2,5-6H,3-4H2,(H,16,17).
What are the key properties of 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid?
10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid is sourced from PubChem (CID 71743273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).