4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one

C17H11BrF2N2O2 — CID 46887068

IUPAC4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2F)cnn1-c1ccccc1
InChIInChI=1S/C17H11BrF2N2O2/c18-16-15(24-10-11-6-7-12(19)8-14(11)20)9-21-22(17(16)23)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyZEXRGPFUNNTNAV-UHFFFAOYSA-N
MW393.19 g/mol
LogP3.85
Rot. Bonds4

About 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one

4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one (PubChem CID 46887068) has the molecular formula C17H11BrF2N2O2 and a molecular weight of 393.19 g/mol. Its IUPAC name is 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one
PubChem CID46887068
Molecular FormulaC17H11BrF2N2O2
Molecular Weight393.19 g/mol
Exact Mass392.00
IUPAC Name4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2F)cnn1-c1ccccc1
InChIInChI=1S/C17H11BrF2N2O2/c18-16-15(24-10-11-6-7-12(19)8-14(11)20)9-21-22(17(16)23)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyZEXRGPFUNNTNAV-UHFFFAOYSA-N
XLogP3.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one (CID 46887068) is 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one is O=c1c(Br)c(OCc2ccc(F)cc2F)cnn1-c1ccccc1.
What is the InChIKey of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one?
The InChIKey is ZEXRGPFUNNTNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N2O2/c18-16-15(24-10-11-6-7-12(19)8-14(11)20)9-21-22(17(16)23)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one?
4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one has a molecular weight of 393.19 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-phenylpyridazin-3-one is sourced from PubChem (CID 46887068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).