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

C14H12ClN3O3 — CID 793931

IUPACN'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccn1
InChIInChI=1S/C14H12ClN3O3/c15-10-4-6-11(7-5-10)21-9-13(19)17-18-14(20)12-3-1-2-8-16-12/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyOAKYLJGMTYLVQK-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.58
Rot. Bonds4

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

N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide (PubChem CID 793931) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide
PubChem CID793931
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccn1
InChIInChI=1S/C14H12ClN3O3/c15-10-4-6-11(7-5-10)21-9-13(19)17-18-14(20)12-3-1-2-8-16-12/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyOAKYLJGMTYLVQK-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-(3,5-dimethylphenoxy)acetyl]pyridine-2-carbohydrazide
CID 16330911
N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 836901
N-(5-chloro-2-methoxyphenyl)-2-(pyridin-2-ylcarbonyl)hydrazinecarboxamide
CID 2955023
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2988519
N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide
CID 4791450
2-(2,4-dichlorophenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 5324371
Pyridine-2-carboxylic acid N'-[2-(4-methoxy-phenoxy)-acetyl]-hydrazide
CID 774167
N'-[2-(4-chlorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 793934
N'-[2-(4-chloro-2-methylphenoxy)acetyl]nicotinohydrazide
CID 870404
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2987774
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2992751
N''-[2-(3-chlorophenoxy)propanoyl]nicotinohydrazide
CID 3941503

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide (CID 793931) is N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccn1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide?
The InChIKey is OAKYLJGMTYLVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-10-4-6-11(7-5-10)21-9-13(19)17-18-14(20)12-3-1-2-8-16-12/h1-8H,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-carbohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]pyridine-2-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-2-carbohydrazide is sourced from PubChem (CID 793931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).