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

C15H13Cl2N3O3 — CID 78771863

IUPAC6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H13Cl2N3O3/c1-9-6-11(16)3-4-12(9)23-8-14(21)19-20-15(22)10-2-5-13(17)18-7-10/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyPHXTZXGIJDWTGE-UHFFFAOYSA-N
MW354.19 g/mol
LogP2.54
Rot. Bonds4

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

6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 78771863) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is 6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID78771863
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H13Cl2N3O3/c1-9-6-11(16)3-4-12(9)23-8-14(21)19-20-15(22)10-2-5-13(17)18-7-10/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyPHXTZXGIJDWTGE-UHFFFAOYSA-N
XLogP2.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 52.54
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

4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 7943823
6-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18287311
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957534
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017426
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-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of 6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide (CID 78771863) is 6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide is Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is PHXTZXGIJDWTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-9-6-11(16)3-4-12(9)23-8-14(21)19-20-15(22)10-2-5-13(17)18-7-10/h2-7H,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 354.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 78771863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).