2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one

C18H14BrFN2O2 — CID 10150620

IUPAC2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
SMILESO=c1cc(OCc2ccc(F)cc2)c(Br)nn1Cc1ccccc1
InChIInChI=1S/C18H14BrFN2O2/c19-18-16(24-12-14-6-8-15(20)9-7-14)10-17(23)22(21-18)11-13-4-2-1-3-5-13/h1-10H,11-12H2
InChIKeySBPPKKHJEZVLQU-UHFFFAOYSA-N
MW389.22 g/mol
LogP3.77
Rot. Bonds5

About 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one

2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one (PubChem CID 10150620) has the molecular formula C18H14BrFN2O2 and a molecular weight of 389.22 g/mol. Its IUPAC name is 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
PubChem CID10150620
Molecular FormulaC18H14BrFN2O2
Molecular Weight389.22 g/mol
Exact Mass388.02
IUPAC Name2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
SMILESO=c1cc(OCc2ccc(F)cc2)c(Br)nn1Cc1ccccc1
InChIInChI=1S/C18H14BrFN2O2/c19-18-16(24-12-14-6-8-15(20)9-7-14)10-17(23)22(21-18)11-13-4-2-1-3-5-13/h1-10H,11-12H2
InChIKeySBPPKKHJEZVLQU-UHFFFAOYSA-N
XLogP3.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090110
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
6-bromo-2-[[4-(2-fluorophenoxy)phenyl]methyl]-1,2,4-triazine-3,5-dione
CID 90036500
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid
CID 46398734
N-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
CID 6892777
1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene
CID 155588527
5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 21089612
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500
3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
CID 141039468

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one (CID 10150620) is 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one is O=c1cc(OCc2ccc(F)cc2)c(Br)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one?
The InChIKey is SBPPKKHJEZVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O2/c19-18-16(24-12-14-6-8-15(20)9-7-14)10-17(23)22(21-18)11-13-4-2-1-3-5-13/h1-10H,11-12H2.
What are the key properties of 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one?
2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one has a molecular weight of 389.22 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one is sourced from PubChem (CID 10150620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).