4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one

C17H11ClF2N2O — CID 45073722

IUPAC4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(-c2c(F)cccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF2N2O/c1-9-14(10-5-7-11(18)8-6-10)16(17(23)22-21-9)15-12(19)3-2-4-13(15)20/h2-8H,1H3,(H,22,23)
InChIKeyMDBKEFHMMTUWBW-UHFFFAOYSA-N
MW332.74 g/mol
LogP4.34
Rot. Bonds2

About 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one

4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one (PubChem CID 45073722) has the molecular formula C17H11ClF2N2O and a molecular weight of 332.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one
PubChem CID45073722
Molecular FormulaC17H11ClF2N2O
Molecular Weight332.74 g/mol
Exact Mass332.05
IUPAC Name4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(-c2c(F)cccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF2N2O/c1-9-14(10-5-7-11(18)8-6-10)16(17(23)22-21-9)15-12(19)3-2-4-13(15)20/h2-8H,1H3,(H,22,23)
InChIKeyMDBKEFHMMTUWBW-UHFFFAOYSA-N
XLogP4.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 104452
6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
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(4-Chloro-phenyl)-acetic acid [1-(4-fluoro-phenyl)-ethylidene]-hydrazide
CID 5439289
2-chloro-N'-[(1Z)-1-phenylbutylidene]benzohydrazide
CID 6526242
4-(4-chlorophenyl)-6-(3-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3543116
4-(2,4-dichlorophenyl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 3692388
4-(3-chlorophenyl)-6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3742146
6-(4-chlorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3813527
6-(4-chlorophenyl)-4-(4-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 5182021
4-chloro-N'-[(2E,3E)-4-(2-fluorophenyl)but-3-en-2-ylidene]benzohydrazide
CID 5752552
N-[(1E)-2-(3-fluorophenyl)-1-azavinyl](4-chlorophenyl)carboxamide
CID 6862801
(4-Chloro-phenyl)-acetic acid (3,4-dihydro-2H-naphthalen-1-ylidene)-hydrazide
CID 9595175

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one (CID 45073722) is 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(-c2c(F)cccc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is MDBKEFHMMTUWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O/c1-9-14(10-5-7-11(18)8-6-10)16(17(23)22-21-9)15-12(19)3-2-4-13(15)20/h2-8H,1H3,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one?
4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 332.74 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 45073722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).