2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one

C13H8F2N4O — CID 21262524

IUPAC2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one
SMILESNn1nc(-c2ccccn2)c2c(F)ccc(F)c2c1=O
InChIInChI=1S/C13H8F2N4O/c14-7-4-5-8(15)11-10(7)12(18-19(16)13(11)20)9-3-1-2-6-17-9/h1-6H,16H2
InChIKeyWONRYNVNIGGWGF-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.45
Rot. Bonds1

About 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one

2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one (PubChem CID 21262524) has the molecular formula C13H8F2N4O and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one.

Molecular Properties

Compound Name2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one
PubChem CID21262524
Molecular FormulaC13H8F2N4O
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one
SMILESNn1nc(-c2ccccn2)c2c(F)ccc(F)c2c1=O
InChIInChI=1S/C13H8F2N4O/c14-7-4-5-8(15)11-10(7)12(18-19(16)13(11)20)9-3-1-2-6-17-9/h1-6H,16H2
InChIKeyWONRYNVNIGGWGF-UHFFFAOYSA-N
XLogP1.45
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one?
The IUPAC name of 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one (CID 21262524) is 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one.
What is the SMILES notation for 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one?
The canonical SMILES for 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one is Nn1nc(-c2ccccn2)c2c(F)ccc(F)c2c1=O.
What is the InChIKey of 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one?
The InChIKey is WONRYNVNIGGWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O/c14-7-4-5-8(15)11-10(7)12(18-19(16)13(11)20)9-3-1-2-6-17-9/h1-6H,16H2.
What are the key properties of 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one?
2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one has a molecular weight of 274.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,8-difluoro-4-pyridin-2-ylphthalazin-1-one is sourced from PubChem (CID 21262524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).