1-(4-bromophenyl)-4-chlorophthalazine

C14H8BrClN2 — CID 4738181

IUPAC1-(4-bromophenyl)-4-chlorophthalazine
SMILESClc1nnc(-c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C14H8BrClN2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)18-17-13/h1-8H
InChIKeyGGHADVXSCLDPPX-UHFFFAOYSA-N
MW319.59 g/mol
LogP4.71
Rot. Bonds1

About 1-(4-bromophenyl)-4-chlorophthalazine

1-(4-bromophenyl)-4-chlorophthalazine (PubChem CID 4738181) has the molecular formula C14H8BrClN2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-chlorophthalazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-chlorophthalazine
PubChem CID4738181
Molecular FormulaC14H8BrClN2
Molecular Weight319.59 g/mol
Exact Mass317.96
IUPAC Name1-(4-bromophenyl)-4-chlorophthalazine
SMILESClc1nnc(-c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C14H8BrClN2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)18-17-13/h1-8H
InChIKeyGGHADVXSCLDPPX-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-chlorophthalazine?
The IUPAC name of 1-(4-bromophenyl)-4-chlorophthalazine (CID 4738181) is 1-(4-bromophenyl)-4-chlorophthalazine.
What is the SMILES notation for 1-(4-bromophenyl)-4-chlorophthalazine?
The canonical SMILES for 1-(4-bromophenyl)-4-chlorophthalazine is Clc1nnc(-c2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 1-(4-bromophenyl)-4-chlorophthalazine?
The InChIKey is GGHADVXSCLDPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)18-17-13/h1-8H.
What are the key properties of 1-(4-bromophenyl)-4-chlorophthalazine?
1-(4-bromophenyl)-4-chlorophthalazine has a molecular weight of 319.59 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-chlorophthalazine is sourced from PubChem (CID 4738181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).