N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide

C14H12ClN3O3 — CID 793934

IUPACN'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1ccncc1
InChIInChI=1S/C14H12ClN3O3/c15-11-1-3-12(4-2-11)21-9-13(19)17-18-14(20)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyWPGNOZHGQBNNBO-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.58
Rot. Bonds4

About N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide

N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide (PubChem CID 793934) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide
PubChem CID793934
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1ccncc1
InChIInChI=1S/C14H12ClN3O3/c15-11-1-3-12(4-2-11)21-9-13(19)17-18-14(20)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyWPGNOZHGQBNNBO-UHFFFAOYSA-N
XLogP1.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.58
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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Related Compounds

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]nicotinohydrazide
CID 808281
N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 836901
N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide
CID 4780082
2-(4-Chloro-2-methylphenoxy)-N'-[(E)-(pyridin-4-YL)methylidene]acetohydrazide
CID 9667098
(E)-N'-[3-(4-Methoxyphenyl)propenoyl]isonicotinohydrazide
CID 25032868
2-(2,4-dichlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6868786
2-(4-methoxyphenoxy)-N-(3-pyridylcarbonylamino)acetamide
CID 774449
Pyridine-2-carboxylic acid N'-[2-(4-chloro-phenoxy)-acetyl]-hydrazide
CID 793931
2-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1343414
N-{3-[2-(4-Chloro-phenoxy)-acetylamino]-propyl}-nicotinamide
CID 2988361
N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24979112
N'-[3-(4-ethoxyphenoxy)propanoyl]pyridine-4-carbohydrazide
CID 25161830

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide (CID 793934) is N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide?
The InChIKey is WPGNOZHGQBNNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-11-1-3-12(4-2-11)21-9-13(19)17-18-14(20)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide has a molecular weight of 305.72 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 793934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).