2-bromophthalazin-1-one;2-chlorophthalazin-1-one

C16H10BrClN4O2 — CID 88641198

IUPAC2-bromophthalazin-1-one;2-chlorophthalazin-1-one
SMILESO=c1c2ccccc2cnn1Br.O=c1c2ccccc2cnn1Cl
InChIInChI=1S/C8H5BrN2O.C8H5ClN2O/c2*9-11-8(12)7-4-2-1-3-6(7)5-10-11/h2*1-5H
InChIKeyUXTITQOFJYLDTF-UHFFFAOYSA-N
MW405.64 g/mol
LogP2.95
Rot. Bonds

About 2-bromophthalazin-1-one;2-chlorophthalazin-1-one

2-bromophthalazin-1-one;2-chlorophthalazin-1-one (PubChem CID 88641198) has the molecular formula C16H10BrClN4O2 and a molecular weight of 405.64 g/mol. Its IUPAC name is 2-bromophthalazin-1-one;2-chlorophthalazin-1-one.

Molecular Properties

Compound Name2-bromophthalazin-1-one;2-chlorophthalazin-1-one
PubChem CID88641198
Molecular FormulaC16H10BrClN4O2
Molecular Weight405.64 g/mol
Exact Mass403.97
IUPAC Name2-bromophthalazin-1-one;2-chlorophthalazin-1-one
SMILESO=c1c2ccccc2cnn1Br.O=c1c2ccccc2cnn1Cl
InChIInChI=1S/C8H5BrN2O.C8H5ClN2O/c2*9-11-8(12)7-4-2-1-3-6(7)5-10-11/h2*1-5H
InChIKeyUXTITQOFJYLDTF-UHFFFAOYSA-N
XLogP2.95
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.64
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromophthalazin-1-one;2-chlorophthalazin-1-one?
The IUPAC name of 2-bromophthalazin-1-one;2-chlorophthalazin-1-one (CID 88641198) is 2-bromophthalazin-1-one;2-chlorophthalazin-1-one.
What is the SMILES notation for 2-bromophthalazin-1-one;2-chlorophthalazin-1-one?
The canonical SMILES for 2-bromophthalazin-1-one;2-chlorophthalazin-1-one is O=c1c2ccccc2cnn1Br.O=c1c2ccccc2cnn1Cl.
What is the InChIKey of 2-bromophthalazin-1-one;2-chlorophthalazin-1-one?
The InChIKey is UXTITQOFJYLDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O.C8H5ClN2O/c2*9-11-8(12)7-4-2-1-3-6(7)5-10-11/h2*1-5H.
What are the key properties of 2-bromophthalazin-1-one;2-chlorophthalazin-1-one?
2-bromophthalazin-1-one;2-chlorophthalazin-1-one has a molecular weight of 405.64 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromophthalazin-1-one;2-chlorophthalazin-1-one is sourced from PubChem (CID 88641198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).