8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one

C13H8FNO2 — CID 10443785

IUPAC8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one
SMILESO=C1c2ccc(F)cc2OCc2ncccc21
InChIInChI=1S/C13H8FNO2/c14-8-3-4-10-12(6-8)17-7-11-9(13(10)16)2-1-5-15-11/h1-6H,7H2
InChIKeyYGXCXOYPCCMFBJ-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.34
Rot. Bonds

About 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one

8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one (PubChem CID 10443785) has the molecular formula C13H8FNO2 and a molecular weight of 229.21 g/mol. Its IUPAC name is 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one.

Molecular Properties

Compound Name8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one
PubChem CID10443785
Molecular FormulaC13H8FNO2
Molecular Weight229.21 g/mol
Exact Mass229.05
IUPAC Name8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one
SMILESO=C1c2ccc(F)cc2OCc2ncccc21
InChIInChI=1S/C13H8FNO2/c14-8-3-4-10-12(6-8)17-7-11-9(13(10)16)2-1-5-15-11/h1-6H,7H2
InChIKeyYGXCXOYPCCMFBJ-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one?
The IUPAC name of 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one (CID 10443785) is 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one.
What is the SMILES notation for 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one?
The canonical SMILES for 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one is O=C1c2ccc(F)cc2OCc2ncccc21.
What is the InChIKey of 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one?
The InChIKey is YGXCXOYPCCMFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO2/c14-8-3-4-10-12(6-8)17-7-11-9(13(10)16)2-1-5-15-11/h1-6H,7H2.
What are the key properties of 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one?
8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one has a molecular weight of 229.21 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-one is sourced from PubChem (CID 10443785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).