7-bromo-2-pyridin-4-ylphthalazin-1-one

C13H8BrN3O — CID 97179725

IUPAC7-bromo-2-pyridin-4-ylphthalazin-1-one
SMILESO=c1c2cc(Br)ccc2cnn1-c1ccncc1
InChIInChI=1S/C13H8BrN3O/c14-10-2-1-9-8-16-17(13(18)12(9)7-10)11-3-5-15-6-4-11/h1-8H
InChIKeyWQNHABRZHVVOHQ-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.54
Rot. Bonds1

About 7-bromo-2-pyridin-4-ylphthalazin-1-one

7-bromo-2-pyridin-4-ylphthalazin-1-one (PubChem CID 97179725) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 7-bromo-2-pyridin-4-ylphthalazin-1-one.

Molecular Properties

Compound Name7-bromo-2-pyridin-4-ylphthalazin-1-one
PubChem CID97179725
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name7-bromo-2-pyridin-4-ylphthalazin-1-one
SMILESO=c1c2cc(Br)ccc2cnn1-c1ccncc1
InChIInChI=1S/C13H8BrN3O/c14-10-2-1-9-8-16-17(13(18)12(9)7-10)11-3-5-15-6-4-11/h1-8H
InChIKeyWQNHABRZHVVOHQ-UHFFFAOYSA-N
XLogP2.54
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-pyridin-4-ylphthalazin-1-one?
The IUPAC name of 7-bromo-2-pyridin-4-ylphthalazin-1-one (CID 97179725) is 7-bromo-2-pyridin-4-ylphthalazin-1-one.
What is the SMILES notation for 7-bromo-2-pyridin-4-ylphthalazin-1-one?
The canonical SMILES for 7-bromo-2-pyridin-4-ylphthalazin-1-one is O=c1c2cc(Br)ccc2cnn1-c1ccncc1.
What is the InChIKey of 7-bromo-2-pyridin-4-ylphthalazin-1-one?
The InChIKey is WQNHABRZHVVOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-10-2-1-9-8-16-17(13(18)12(9)7-10)11-3-5-15-6-4-11/h1-8H.
What are the key properties of 7-bromo-2-pyridin-4-ylphthalazin-1-one?
7-bromo-2-pyridin-4-ylphthalazin-1-one has a molecular weight of 302.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-pyridin-4-ylphthalazin-1-one is sourced from PubChem (CID 97179725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).