2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one

C13H9F2N3O2 — CID 46259712

IUPAC2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
SMILESO=C1Nc2ccccc2N(O)N1c1ccc(F)cc1F
InChIInChI=1S/C13H9F2N3O2/c14-8-5-6-11(9(15)7-8)17-13(19)16-10-3-1-2-4-12(10)18(17)20/h1-7,20H,(H,16,19)
InChIKeyGIZGDZUUOPPVAH-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.13
Rot. Bonds1

About 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one

2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one (PubChem CID 46259712) has the molecular formula C13H9F2N3O2 and a molecular weight of 277.23 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
PubChem CID46259712
Molecular FormulaC13H9F2N3O2
Molecular Weight277.23 g/mol
Exact Mass277.07
IUPAC Name2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
SMILESO=C1Nc2ccccc2N(O)N1c1ccc(F)cc1F
InChIInChI=1S/C13H9F2N3O2/c14-8-5-6-11(9(15)7-8)17-13(19)16-10-3-1-2-4-12(10)18(17)20/h1-7,20H,(H,16,19)
InChIKeyGIZGDZUUOPPVAH-UHFFFAOYSA-N
XLogP3.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one?
The IUPAC name of 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one (CID 46259712) is 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one is O=C1Nc2ccccc2N(O)N1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one?
The InChIKey is GIZGDZUUOPPVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O2/c14-8-5-6-11(9(15)7-8)17-13(19)16-10-3-1-2-4-12(10)18(17)20/h1-7,20H,(H,16,19).
What are the key properties of 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one?
2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one has a molecular weight of 277.23 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one is sourced from PubChem (CID 46259712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).