4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate

C34H28Cl2F4N6O4 — CID 172929120

IUPAC4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate
SMILESC/C(=N/N)C(=O)c1ccc(Cl)cc1.CCOC(=O)Cc1ncc(F)cc1F.Cc1n[nH]c(=O)c(-c2ncc(F)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF2N3O.C9H9ClN2O.C9H9F2NO2/c1-8-13(9-2-4-10(17)5-3-9)14(16(23)22-21-8)15-12(19)6-11(18)7-20-15;1-6(12-11)9(13)7-2-4-8(10)5-3-7;1-2-14-9(13)4-8-7(11)3-6(10)5-12-8/h2-7H,1H3,(H,22,23);2-5H,11H2,1H3;3,5H,2,4H2,1H3/b;12-6-;
InChIKeySCQDBHPDGAFIMF-MVGMRYSLSA-N
MW731.53 g/mol
LogP7.06
Rot. Bonds7

About 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate

4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate (PubChem CID 172929120) has the molecular formula C34H28Cl2F4N6O4 and a molecular weight of 731.53 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate
PubChem CID172929120
Molecular FormulaC34H28Cl2F4N6O4
Molecular Weight731.53 g/mol
Exact Mass730.15
IUPAC Name4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate
SMILESC/C(=N/N)C(=O)c1ccc(Cl)cc1.CCOC(=O)Cc1ncc(F)cc1F.Cc1n[nH]c(=O)c(-c2ncc(F)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF2N3O.C9H9ClN2O.C9H9F2NO2/c1-8-13(9-2-4-10(17)5-3-9)14(16(23)22-21-8)15-12(19)6-11(18)7-20-15;1-6(12-11)9(13)7-2-4-8(10)5-3-7;1-2-14-9(13)4-8-7(11)3-6(10)5-12-8/h2-7H,1H3,(H,22,23);2-5H,11H2,1H3;3,5H,2,4H2,1H3/b;12-6-;
InChIKeySCQDBHPDGAFIMF-MVGMRYSLSA-N
XLogP7.06
TPSA153.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.53
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate with MolForge

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Related Compounds

[5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
CID 160958023
ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
CID 133096784
ethyl 2-(3-cyano-5-fluoro-2-pyridinyl)acetate
CID 133097544
ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate
CID 91124643
ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate
CID 118222210
ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133088380
ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate
CID 87519217
ethyl 2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 67459217
ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide
CID 66789137
ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
CID 133060978
4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one
CID 158071375
1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one
CID 72575899

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate?
The IUPAC name of 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate (CID 172929120) is 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate?
The canonical SMILES for 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate is C/C(=N/N)C(=O)c1ccc(Cl)cc1.CCOC(=O)Cc1ncc(F)cc1F.Cc1n[nH]c(=O)c(-c2ncc(F)cc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate?
The InChIKey is SCQDBHPDGAFIMF-MVGMRYSLSA-N. The full InChI is InChI=1S/C16H10ClF2N3O.C9H9ClN2O.C9H9F2NO2/c1-8-13(9-2-4-10(17)5-3-9)14(16(23)22-21-8)15-12(19)6-11(18)7-20-15;1-6(12-11)9(13)7-2-4-8(10)5-3-7;1-2-14-9(13)4-8-7(11)3-6(10)5-12-8/h2-7H,1H3,(H,22,23);2-5H,11H2,1H3;3,5H,2,4H2,1H3/b;12-6-;.
What are the key properties of 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate?
4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate has a molecular weight of 731.53 g/mol, XLogP of 7.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate is sourced from PubChem (CID 172929120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).