N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide

C14H11Cl2N3O3 — CID 836901

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1
InChIInChI=1S/C14H11Cl2N3O3/c15-10-3-4-12(11(16)6-10)22-8-13(20)18-19-14(21)9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyOCVMYIAQALJQFI-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.23
Rot. Bonds4

About N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide

N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 836901) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID836901
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1
InChIInChI=1S/C14H11Cl2N3O3/c15-10-3-4-12(11(16)6-10)22-8-13(20)18-19-14(21)9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyOCVMYIAQALJQFI-UHFFFAOYSA-N
XLogP2.23
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide (CID 836901) is N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide is O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is OCVMYIAQALJQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c15-10-3-4-12(11(16)6-10)22-8-13(20)18-19-14(21)9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 340.17 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 836901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).