5-bromo-7-fluoro-2H-phthalazin-1-one

C8H4BrFN2O — CID 177201388

IUPAC5-bromo-7-fluoro-2H-phthalazin-1-one
SMILESO=c1[nH]ncc2c(Br)cc(F)cc12
InChIInChI=1S/C8H4BrFN2O/c9-7-2-4(10)1-5-6(7)3-11-12-8(5)13/h1-3H,(H,12,13)
InChIKeyWQALGRPDKQLMJV-UHFFFAOYSA-N
MW243.03 g/mol
LogP1.82
Rot. Bonds

About 5-bromo-7-fluoro-2H-phthalazin-1-one

5-bromo-7-fluoro-2H-phthalazin-1-one (PubChem CID 177201388) has the molecular formula C8H4BrFN2O and a molecular weight of 243.03 g/mol. Its IUPAC name is 5-bromo-7-fluoro-2H-phthalazin-1-one.

Molecular Properties

Compound Name5-bromo-7-fluoro-2H-phthalazin-1-one
PubChem CID177201388
Molecular FormulaC8H4BrFN2O
Molecular Weight243.03 g/mol
Exact Mass241.95
IUPAC Name5-bromo-7-fluoro-2H-phthalazin-1-one
SMILESO=c1[nH]ncc2c(Br)cc(F)cc12
InChIInChI=1S/C8H4BrFN2O/c9-7-2-4(10)1-5-6(7)3-11-12-8(5)13/h1-3H,(H,12,13)
InChIKeyWQALGRPDKQLMJV-UHFFFAOYSA-N
XLogP1.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-2H-phthalazin-1-one?
The IUPAC name of 5-bromo-7-fluoro-2H-phthalazin-1-one (CID 177201388) is 5-bromo-7-fluoro-2H-phthalazin-1-one.
What is the SMILES notation for 5-bromo-7-fluoro-2H-phthalazin-1-one?
The canonical SMILES for 5-bromo-7-fluoro-2H-phthalazin-1-one is O=c1[nH]ncc2c(Br)cc(F)cc12.
What is the InChIKey of 5-bromo-7-fluoro-2H-phthalazin-1-one?
The InChIKey is WQALGRPDKQLMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O/c9-7-2-4(10)1-5-6(7)3-11-12-8(5)13/h1-3H,(H,12,13).
What are the key properties of 5-bromo-7-fluoro-2H-phthalazin-1-one?
5-bromo-7-fluoro-2H-phthalazin-1-one has a molecular weight of 243.03 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-2H-phthalazin-1-one is sourced from PubChem (CID 177201388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).