7-bromo-1-chlorophthalazine

C8H4BrClN2 — CID 53408466

IUPAC7-bromo-1-chlorophthalazine
SMILESClc1nncc2ccc(Br)cc12
InChIInChI=1S/C8H4BrClN2/c9-6-2-1-5-4-11-12-8(10)7(5)3-6/h1-4H
InChIKeyRPTPXZOSFDMHMI-UHFFFAOYSA-N
MW243.49 g/mol
LogP3.05
Rot. Bonds

About 7-bromo-1-chlorophthalazine

7-bromo-1-chlorophthalazine (PubChem CID 53408466) has the molecular formula C8H4BrClN2 and a molecular weight of 243.49 g/mol. Its IUPAC name is 7-bromo-1-chlorophthalazine.

Molecular Properties

Compound Name7-bromo-1-chlorophthalazine
PubChem CID53408466
Molecular FormulaC8H4BrClN2
Molecular Weight243.49 g/mol
Exact Mass241.92
IUPAC Name7-bromo-1-chlorophthalazine
SMILESClc1nncc2ccc(Br)cc12
InChIInChI=1S/C8H4BrClN2/c9-6-2-1-5-4-11-12-8(10)7(5)3-6/h1-4H
InChIKeyRPTPXZOSFDMHMI-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 7-bromo-1-chlorophthalazine?
The IUPAC name of 7-bromo-1-chlorophthalazine (CID 53408466) is 7-bromo-1-chlorophthalazine.
What is the SMILES notation for 7-bromo-1-chlorophthalazine?
The canonical SMILES for 7-bromo-1-chlorophthalazine is Clc1nncc2ccc(Br)cc12.
What is the InChIKey of 7-bromo-1-chlorophthalazine?
The InChIKey is RPTPXZOSFDMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2/c9-6-2-1-5-4-11-12-8(10)7(5)3-6/h1-4H.
What are the key properties of 7-bromo-1-chlorophthalazine?
7-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 7-bromo-1-chlorophthalazine is sourced from PubChem (CID 53408466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).