1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine

C15H9Br2ClN2 — CID 81473769

IUPAC1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine
SMILESCc1cc(Br)c(-c2nnc(Cl)c3ccccc23)cc1Br
InChIInChI=1S/C15H9Br2ClN2/c1-8-6-13(17)11(7-12(8)16)14-9-4-2-3-5-10(9)15(18)20-19-14/h2-7H,1H3
InChIKeyOSQQGGDFZWVFQA-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.78
Rot. Bonds1

About 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine

1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine (PubChem CID 81473769) has the molecular formula C15H9Br2ClN2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine
PubChem CID81473769
Molecular FormulaC15H9Br2ClN2
Molecular Weight412.51 g/mol
Exact Mass409.88
IUPAC Name1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine
SMILESCc1cc(Br)c(-c2nnc(Cl)c3ccccc23)cc1Br
InChIInChI=1S/C15H9Br2ClN2/c1-8-6-13(17)11(7-12(8)16)14-9-4-2-3-5-10(9)15(18)20-19-14/h2-7H,1H3
InChIKeyOSQQGGDFZWVFQA-UHFFFAOYSA-N
XLogP5.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine?
The IUPAC name of 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine (CID 81473769) is 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine.
What is the SMILES notation for 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine?
The canonical SMILES for 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine is Cc1cc(Br)c(-c2nnc(Cl)c3ccccc23)cc1Br.
What is the InChIKey of 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine?
The InChIKey is OSQQGGDFZWVFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN2/c1-8-6-13(17)11(7-12(8)16)14-9-4-2-3-5-10(9)15(18)20-19-14/h2-7H,1H3.
What are the key properties of 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine?
1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine has a molecular weight of 412.51 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine is sourced from PubChem (CID 81473769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).