5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one

C17H15Cl2FN2O2 — CID 76785955

IUPAC5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one
SMILESCON=C(CCC(=O)Cc1ccc(F)nc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2FN2O2/c1-24-22-16(12-3-5-14(18)15(19)9-12)6-4-13(23)8-11-2-7-17(20)21-10-11/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyORAFMPIIQFEACA-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.47
Rot. Bonds7

About 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one

5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one (PubChem CID 76785955) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one
PubChem CID76785955
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one
SMILESCON=C(CCC(=O)Cc1ccc(F)nc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2FN2O2/c1-24-22-16(12-3-5-14(18)15(19)9-12)6-4-13(23)8-11-2-7-17(20)21-10-11/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyORAFMPIIQFEACA-UHFFFAOYSA-N
XLogP4.47
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(6-methyl-3-pyridinyl)pentan-2-one
CID 58436814
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
CID 58436870
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
(5E)-5-(3,4-dichlorophenyl)-1-(2,4-dimethyl-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 58436802
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
CID 75083596
4-(3-chloro-4-ethylphenyl)-4-methoxyiminobutanoic acid
CID 90932224
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 75083508
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one
CID 58436822
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one (CID 76785955) is 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one is CON=C(CCC(=O)Cc1ccc(F)nc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one?
The InChIKey is ORAFMPIIQFEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c1-24-22-16(12-3-5-14(18)15(19)9-12)6-4-13(23)8-11-2-7-17(20)21-10-11/h2-3,5,7,9-10H,4,6,8H2,1H3.
What are the key properties of 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one?
5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one has a molecular weight of 369.22 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one is sourced from PubChem (CID 76785955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).