5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine

C15H9BrF2N2O — CID 176742553

IUPAC5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine
SMILESCOc1cc(Br)ccc1-c1cc(F)cc2c(F)nncc12
InChIInChI=1S/C15H9BrF2N2O/c1-21-14-4-8(16)2-3-10(14)11-5-9(17)6-12-13(11)7-19-20-15(12)18/h2-7H,1H3
InChIKeyGYURBSMSOZLGNO-UHFFFAOYSA-N
MW351.15 g/mol
LogP4.35
Rot. Bonds2

About 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine

5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine (PubChem CID 176742553) has the molecular formula C15H9BrF2N2O and a molecular weight of 351.15 g/mol. Its IUPAC name is 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine.

Molecular Properties

Compound Name5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine
PubChem CID176742553
Molecular FormulaC15H9BrF2N2O
Molecular Weight351.15 g/mol
Exact Mass349.99
IUPAC Name5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine
SMILESCOc1cc(Br)ccc1-c1cc(F)cc2c(F)nncc12
InChIInChI=1S/C15H9BrF2N2O/c1-21-14-4-8(16)2-3-10(14)11-5-9(17)6-12-13(11)7-19-20-15(12)18/h2-7H,1H3
InChIKeyGYURBSMSOZLGNO-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine?
The IUPAC name of 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine (CID 176742553) is 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine.
What is the SMILES notation for 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine?
The canonical SMILES for 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine is COc1cc(Br)ccc1-c1cc(F)cc2c(F)nncc12.
What is the InChIKey of 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine?
The InChIKey is GYURBSMSOZLGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2O/c1-21-14-4-8(16)2-3-10(14)11-5-9(17)6-12-13(11)7-19-20-15(12)18/h2-7H,1H3.
What are the key properties of 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine?
5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine has a molecular weight of 351.15 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methoxyphenyl)-1,7-difluorophthalazine is sourced from PubChem (CID 176742553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).