4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one

C15H16BrF2N3O2 — CID 10172803

IUPAC4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C15H16BrF2N3O2/c1-20(2)5-6-21-15(22)14(16)13(8-19-21)23-9-10-3-4-11(17)7-12(10)18/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyIUDRQCDZFGJRKM-UHFFFAOYSA-N
MW388.21 g/mol
LogP2.42
Rot. Bonds6

About 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one

4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 10172803) has the molecular formula C15H16BrF2N3O2 and a molecular weight of 388.21 g/mol. Its IUPAC name is 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID10172803
Molecular FormulaC15H16BrF2N3O2
Molecular Weight388.21 g/mol
Exact Mass387.04
IUPAC Name4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C15H16BrF2N3O2/c1-20(2)5-6-21-15(22)14(16)13(8-19-21)23-9-10-3-4-11(17)7-12(10)18/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyIUDRQCDZFGJRKM-UHFFFAOYSA-N
XLogP2.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 10172803) is 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one is CN(C)CCn1ncc(OCc2ccc(F)cc2F)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is IUDRQCDZFGJRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3O2/c1-20(2)5-6-21-15(22)14(16)13(8-19-21)23-9-10-3-4-11(17)7-12(10)18/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 388.21 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 10172803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).