6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine

C15H10ClFN2 — CID 66739677

IUPAC6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine
SMILESCc1cc(F)ccc1-c1nncc2cc(Cl)ccc12
InChIInChI=1S/C15H10ClFN2/c1-9-6-12(17)3-5-13(9)15-14-4-2-11(16)7-10(14)8-18-19-15/h2-8H,1H3
InChIKeyXWVTWVNJJFNARF-UHFFFAOYSA-N
MW272.71 g/mol
LogP4.40
Rot. Bonds1

About 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine

6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine (PubChem CID 66739677) has the molecular formula C15H10ClFN2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine.

Molecular Properties

Compound Name6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine
PubChem CID66739677
Molecular FormulaC15H10ClFN2
Molecular Weight272.71 g/mol
Exact Mass272.05
IUPAC Name6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine
SMILESCc1cc(F)ccc1-c1nncc2cc(Cl)ccc12
InChIInChI=1S/C15H10ClFN2/c1-9-6-12(17)3-5-13(9)15-14-4-2-11(16)7-10(14)8-18-19-15/h2-8H,1H3
InChIKeyXWVTWVNJJFNARF-UHFFFAOYSA-N
XLogP4.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine?
The IUPAC name of 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine (CID 66739677) is 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine.
What is the SMILES notation for 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine?
The canonical SMILES for 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine is Cc1cc(F)ccc1-c1nncc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine?
The InChIKey is XWVTWVNJJFNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2/c1-9-6-12(17)3-5-13(9)15-14-4-2-11(16)7-10(14)8-18-19-15/h2-8H,1H3.
What are the key properties of 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine?
6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine has a molecular weight of 272.71 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-fluoro-2-methylphenyl)phthalazine is sourced from PubChem (CID 66739677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).