4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one

C15H11F4N3O2 — CID 146218188

IUPAC4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCOc1cc2c(C)n(-c3cn[nH]c(=O)c3C(F)(F)F)cc2cc1F
InChIInChI=1S/C15H11F4N3O2/c1-7-9-4-12(24-2)10(16)3-8(9)6-22(7)11-5-20-21-14(23)13(11)15(17,18)19/h3-6H,1-2H3,(H,21,23)
InChIKeyIMMXAOIRBRUJLN-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.19
Rot. Bonds2

About 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one

4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 146218188) has the molecular formula C15H11F4N3O2 and a molecular weight of 341.26 g/mol. Its IUPAC name is 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID146218188
Molecular FormulaC15H11F4N3O2
Molecular Weight341.26 g/mol
Exact Mass341.08
IUPAC Name4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCOc1cc2c(C)n(-c3cn[nH]c(=O)c3C(F)(F)F)cc2cc1F
InChIInChI=1S/C15H11F4N3O2/c1-7-9-4-12(24-2)10(16)3-8(9)6-22(7)11-5-20-21-14(23)13(11)15(17,18)19/h3-6H,1-2H3,(H,21,23)
InChIKeyIMMXAOIRBRUJLN-UHFFFAOYSA-N
XLogP3.19
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 146218188) is 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one is COc1cc2c(C)n(-c3cn[nH]c(=O)c3C(F)(F)F)cc2cc1F.
What is the InChIKey of 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is IMMXAOIRBRUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O2/c1-7-9-4-12(24-2)10(16)3-8(9)6-22(7)11-5-20-21-14(23)13(11)15(17,18)19/h3-6H,1-2H3,(H,21,23).
What are the key properties of 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 341.26 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 146218188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).