3-(5-chloro-2-cyanophenoxy)propanehydrazide

C10H10ClN3O2 — CID 114324002

IUPAC3-(5-chloro-2-cyanophenoxy)propanehydrazide
SMILESN#Cc1ccc(Cl)cc1OCCC(=O)NN
InChIInChI=1S/C10H10ClN3O2/c11-8-2-1-7(6-12)9(5-8)16-4-3-10(15)14-13/h1-2,5H,3-4,13H2,(H,14,15)
InChIKeyRXVGVGUSTRGLKE-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.97
Rot. Bonds4

About 3-(5-chloro-2-cyanophenoxy)propanehydrazide

3-(5-chloro-2-cyanophenoxy)propanehydrazide (PubChem CID 114324002) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(5-chloro-2-cyanophenoxy)propanehydrazide.

Molecular Properties

Compound Name3-(5-chloro-2-cyanophenoxy)propanehydrazide
PubChem CID114324002
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(5-chloro-2-cyanophenoxy)propanehydrazide
SMILESN#Cc1ccc(Cl)cc1OCCC(=O)NN
InChIInChI=1S/C10H10ClN3O2/c11-8-2-1-7(6-12)9(5-8)16-4-3-10(15)14-13/h1-2,5H,3-4,13H2,(H,14,15)
InChIKeyRXVGVGUSTRGLKE-UHFFFAOYSA-N
XLogP0.97
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-chloro-2-cyanophenoxy)pentanehydrazide
CID 113277477
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
3-(4-chloro-2-methylphenoxy)propanehydrazide
CID 63574293
2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
CID 80708099
3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide
CID 114324027
N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708020
3-[(5-chloro-2-cyanophenoxy)methyl]furan-2-carbohydrazide
CID 114324023
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
4-chloro-2-pentoxybenzonitrile
CID 63094612
4-chloro-2-ethoxybenzonitrile
CID 22721189
4-chloro-2-(3-ethylsulfonylpropoxy)benzonitrile
CID 80708974
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-cyanophenoxy)propanehydrazide?
The IUPAC name of 3-(5-chloro-2-cyanophenoxy)propanehydrazide (CID 114324002) is 3-(5-chloro-2-cyanophenoxy)propanehydrazide.
What is the SMILES notation for 3-(5-chloro-2-cyanophenoxy)propanehydrazide?
The canonical SMILES for 3-(5-chloro-2-cyanophenoxy)propanehydrazide is N#Cc1ccc(Cl)cc1OCCC(=O)NN.
What is the InChIKey of 3-(5-chloro-2-cyanophenoxy)propanehydrazide?
The InChIKey is RXVGVGUSTRGLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-8-2-1-7(6-12)9(5-8)16-4-3-10(15)14-13/h1-2,5H,3-4,13H2,(H,14,15).
What are the key properties of 3-(5-chloro-2-cyanophenoxy)propanehydrazide?
3-(5-chloro-2-cyanophenoxy)propanehydrazide has a molecular weight of 239.66 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-cyanophenoxy)propanehydrazide is sourced from PubChem (CID 114324002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).