2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one

C17H12ClFN2O — CID 7659696

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFN2O/c18-14-7-4-8-15(19)13(14)11-21-17(22)10-9-16(20-21)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyKYBYOKSGCLJZJA-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.75
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one

2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one (PubChem CID 7659696) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one
PubChem CID7659696
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFN2O/c18-14-7-4-8-15(19)13(14)11-21-17(22)10-9-16(20-21)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyKYBYOKSGCLJZJA-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-formyl-5-(-2'-chlorophenyl)-3-phenylpyrazoline (1b)
CID 84973174
5-chloro-2-(4-chlorobenzyl)-6-phenyl-3(2H)-pyridazinone
CID 1472475
2-(2-chloro-6-fluorobenzyl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one
CID 6624406
2-(4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 7659607
2-(2-chloro-6-fluorobenzyl)-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 7662570
2-(2-chloro-4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 16014547
6-phenyl-2-(4-vinylbenzyl)pyridazin-3(2H)-one
CID 23608995
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](4-methylphenyl)methanone
CID 1486796
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](phenyl)methanone
CID 1488624
2-(4-fluorobenzyl)-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 7662356
2-benzyl-6-phenylpyridazin-3(2H)-one
CID 6459134
N-benzoyl-5-(-2'-chloro phenyl)-3-phenylpyrazoline (2b)
CID 84973180

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one (CID 7659696) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one is O=c1ccc(-c2ccccc2)nn1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one?
The InChIKey is KYBYOKSGCLJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-14-7-4-8-15(19)13(14)11-21-17(22)10-9-16(20-21)12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one?
2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one has a molecular weight of 314.75 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 7659696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).