6-bromo-1,4-dichlorophthalazine

C8H3BrCl2N2 — CID 22744454

IUPAC6-bromo-1,4-dichlorophthalazine
SMILESClc1nnc(Cl)c2cc(Br)ccc12
InChIInChI=1S/C8H3BrCl2N2/c9-4-1-2-5-6(3-4)8(11)13-12-7(5)10/h1-3H
InChIKeyMRUUOENIWOPHLR-UHFFFAOYSA-N
MW277.94 g/mol
LogP3.70
Rot. Bonds

About 6-bromo-1,4-dichlorophthalazine

6-bromo-1,4-dichlorophthalazine (PubChem CID 22744454) has the molecular formula C8H3BrCl2N2 and a molecular weight of 277.94 g/mol. Its IUPAC name is 6-bromo-1,4-dichlorophthalazine.

Molecular Properties

Compound Name6-bromo-1,4-dichlorophthalazine
PubChem CID22744454
Molecular FormulaC8H3BrCl2N2
Molecular Weight277.94 g/mol
Exact Mass275.89
IUPAC Name6-bromo-1,4-dichlorophthalazine
SMILESClc1nnc(Cl)c2cc(Br)ccc12
InChIInChI=1S/C8H3BrCl2N2/c9-4-1-2-5-6(3-4)8(11)13-12-7(5)10/h1-3H
InChIKeyMRUUOENIWOPHLR-UHFFFAOYSA-N
XLogP3.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.94
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,4-dichlorophthalazine?
The IUPAC name of 6-bromo-1,4-dichlorophthalazine (CID 22744454) is 6-bromo-1,4-dichlorophthalazine.
What is the SMILES notation for 6-bromo-1,4-dichlorophthalazine?
The canonical SMILES for 6-bromo-1,4-dichlorophthalazine is Clc1nnc(Cl)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1,4-dichlorophthalazine?
The InChIKey is MRUUOENIWOPHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2/c9-4-1-2-5-6(3-4)8(11)13-12-7(5)10/h1-3H.
What are the key properties of 6-bromo-1,4-dichlorophthalazine?
6-bromo-1,4-dichlorophthalazine has a molecular weight of 277.94 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,4-dichlorophthalazine is sourced from PubChem (CID 22744454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).