1-bromophthalazine

C8H5BrN2 — CID 13126701

IUPAC1-bromophthalazine
SMILESBrc1nncc2ccccc12
InChIInChI=1S/C8H5BrN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H
InChIKeyOGSHJLOGCXPYPZ-UHFFFAOYSA-N
MW209.05 g/mol
LogP2.39
Rot. Bonds

About 1-bromophthalazine

1-bromophthalazine (PubChem CID 13126701) has the molecular formula C8H5BrN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is 1-bromophthalazine.

Molecular Properties

Compound Name1-bromophthalazine
PubChem CID13126701
Molecular FormulaC8H5BrN2
Molecular Weight209.05 g/mol
Exact Mass207.96
IUPAC Name1-bromophthalazine
SMILESBrc1nncc2ccccc12
InChIInChI=1S/C8H5BrN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H
InChIKeyOGSHJLOGCXPYPZ-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 1-bromophthalazine?
The IUPAC name of 1-bromophthalazine (CID 13126701) is 1-bromophthalazine.
What is the SMILES notation for 1-bromophthalazine?
The canonical SMILES for 1-bromophthalazine is Brc1nncc2ccccc12.
What is the InChIKey of 1-bromophthalazine?
The InChIKey is OGSHJLOGCXPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H.
What are the key properties of 1-bromophthalazine?
1-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 1-bromophthalazine is sourced from PubChem (CID 13126701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).