6-bromo-1-chlorophthalazine

C8H4BrClN2 — CID 22030424

IUPAC6-bromo-1-chlorophthalazine
SMILESClc1nncc2cc(Br)ccc12
InChIInChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-11-12-8(7)10/h1-4H
InChIKeyGHENEHYQUQKATD-UHFFFAOYSA-N
MW243.49 g/mol
LogP3.05
Rot. Bonds

About 6-bromo-1-chlorophthalazine

6-bromo-1-chlorophthalazine (PubChem CID 22030424) has the molecular formula C8H4BrClN2 and a molecular weight of 243.49 g/mol. Its IUPAC name is 6-bromo-1-chlorophthalazine.

Molecular Properties

Compound Name6-bromo-1-chlorophthalazine
PubChem CID22030424
Molecular FormulaC8H4BrClN2
Molecular Weight243.49 g/mol
Exact Mass241.92
IUPAC Name6-bromo-1-chlorophthalazine
SMILESClc1nncc2cc(Br)ccc12
InChIInChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-11-12-8(7)10/h1-4H
InChIKeyGHENEHYQUQKATD-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-chlorophthalazine?
The IUPAC name of 6-bromo-1-chlorophthalazine (CID 22030424) is 6-bromo-1-chlorophthalazine.
What is the SMILES notation for 6-bromo-1-chlorophthalazine?
The canonical SMILES for 6-bromo-1-chlorophthalazine is Clc1nncc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-chlorophthalazine?
The InChIKey is GHENEHYQUQKATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-11-12-8(7)10/h1-4H.
What are the key properties of 6-bromo-1-chlorophthalazine?
6-bromo-1-chlorophthalazine has a molecular weight of 243.49 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-chlorophthalazine is sourced from PubChem (CID 22030424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).