5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide

C15H12Cl3N3O3 — CID 7943823

IUPAC5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3N3O3/c1-8-4-10(16)2-3-12(8)24-7-13(22)20-21-15(23)9-5-11(17)14(18)19-6-9/h2-6H,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyBEGRNWQAIVQWQG-UHFFFAOYSA-N
MW388.64 g/mol
LogP3.19
Rot. Bonds4

About 5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide

5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 7943823) has the molecular formula C15H12Cl3N3O3 and a molecular weight of 388.64 g/mol. Its IUPAC name is 5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID7943823
Molecular FormulaC15H12Cl3N3O3
Molecular Weight388.64 g/mol
Exact Mass386.99
IUPAC Name5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3N3O3/c1-8-4-10(16)2-3-12(8)24-7-13(22)20-21-15(23)9-5-11(17)14(18)19-6-9/h2-6H,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyBEGRNWQAIVQWQG-UHFFFAOYSA-N
XLogP3.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 53.19
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

6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78771863
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957534
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
5,6-dichloro-N'-[2-(4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 24634545
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 2273531
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 24641131
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of 5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide (CID 7943823) is 5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide is Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is BEGRNWQAIVQWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3O3/c1-8-4-10(16)2-3-12(8)24-7-13(22)20-21-15(23)9-5-11(17)14(18)19-6-9/h2-6H,7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 388.64 g/mol, XLogP of 3.19, 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-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 7943823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).