5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide

C14H9Cl4N3O2S — CID 24641131

IUPAC5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl4N3O2S/c15-8-1-2-9(16)11(4-8)24-6-12(22)20-21-14(23)7-3-10(17)13(18)19-5-7/h1-5H,6H2,(H,20,22)(H,21,23)
InChIKeyLYRXBROUOLEXAE-UHFFFAOYSA-N
MW425.12 g/mol
LogP4.25
Rot. Bonds4

About 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide

5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide (PubChem CID 24641131) has the molecular formula C14H9Cl4N3O2S and a molecular weight of 425.12 g/mol. Its IUPAC name is 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
PubChem CID24641131
Molecular FormulaC14H9Cl4N3O2S
Molecular Weight425.12 g/mol
Exact Mass422.92
IUPAC Name5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl4N3O2S/c15-8-1-2-9(16)11(4-8)24-6-12(22)20-21-14(23)7-3-10(17)13(18)19-5-7/h1-5H,6H2,(H,20,22)(H,21,23)
InChIKeyLYRXBROUOLEXAE-UHFFFAOYSA-N
XLogP4.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.12
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
CID 24641126
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 7943823
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
CID 24641200
5,6-dichloro-N'-[2-(4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 24634545
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 24641183
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 24641164
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 24609308
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7969663

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
The IUPAC name of 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide (CID 24641131) is 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide is O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
The InChIKey is LYRXBROUOLEXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4N3O2S/c15-8-1-2-9(16)11(4-8)24-6-12(22)20-21-14(23)7-3-10(17)13(18)19-5-7/h1-5H,6H2,(H,20,22)(H,21,23).
What are the key properties of 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide has a molecular weight of 425.12 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 24641131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).