6-bromophthalazine

C8H5BrN2 — CID 610436

IUPAC6-bromophthalazine
SMILESBrc1ccc2cnncc2c1
InChIInChI=1S/C8H5BrN2/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5H
InChIKeyPEXFBIQTIZNHNP-UHFFFAOYSA-N
MW209.05 g/mol
LogP2.39
Rot. Bonds

About 6-bromophthalazine

6-bromophthalazine (PubChem CID 610436) has the molecular formula C8H5BrN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is 6-bromophthalazine.

Molecular Properties

Compound Name6-bromophthalazine
PubChem CID610436
Molecular FormulaC8H5BrN2
Molecular Weight209.05 g/mol
Exact Mass207.96
IUPAC Name6-bromophthalazine
SMILESBrc1ccc2cnncc2c1
InChIInChI=1S/C8H5BrN2/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5H
InChIKeyPEXFBIQTIZNHNP-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromophthalazine?
The IUPAC name of 6-bromophthalazine (CID 610436) is 6-bromophthalazine.
What is the SMILES notation for 6-bromophthalazine?
The canonical SMILES for 6-bromophthalazine is Brc1ccc2cnncc2c1.
What is the InChIKey of 6-bromophthalazine?
The InChIKey is PEXFBIQTIZNHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5H.
What are the key properties of 6-bromophthalazine?
6-bromophthalazine has a molecular weight of 209.05 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromophthalazine is sourced from PubChem (CID 610436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).