5-(5-chloro-2-cyanophenoxy)pentanehydrazide

C12H14ClN3O2 — CID 113277477

IUPAC5-(5-chloro-2-cyanophenoxy)pentanehydrazide
SMILESN#Cc1ccc(Cl)cc1OCCCCC(=O)NN
InChIInChI=1S/C12H14ClN3O2/c13-10-5-4-9(8-14)11(7-10)18-6-2-1-3-12(17)16-15/h4-5,7H,1-3,6,15H2,(H,16,17)
InChIKeyOTIYQLFUNQZMIT-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.75
Rot. Bonds6

About 5-(5-chloro-2-cyanophenoxy)pentanehydrazide

5-(5-chloro-2-cyanophenoxy)pentanehydrazide (PubChem CID 113277477) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-(5-chloro-2-cyanophenoxy)pentanehydrazide.

Molecular Properties

Compound Name5-(5-chloro-2-cyanophenoxy)pentanehydrazide
PubChem CID113277477
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name5-(5-chloro-2-cyanophenoxy)pentanehydrazide
SMILESN#Cc1ccc(Cl)cc1OCCCCC(=O)NN
InChIInChI=1S/C12H14ClN3O2/c13-10-5-4-9(8-14)11(7-10)18-6-2-1-3-12(17)16-15/h4-5,7H,1-3,6,15H2,(H,16,17)
InChIKeyOTIYQLFUNQZMIT-UHFFFAOYSA-N
XLogP1.75
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2-cyanophenoxy)propanehydrazide
CID 114324002
4-chloro-2-pentoxybenzonitrile
CID 63094612
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-(3-ethylsulfonylpropoxy)benzonitrile
CID 80708974
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
5-(2-chloro-5-methylphenoxy)pentanehydrazide
CID 63576775
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
3-(4-chloro-2-methylphenoxy)propanehydrazide
CID 63574293
2-(3-aminopropoxy)-5-chlorobenzonitrile
CID 62493723

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-cyanophenoxy)pentanehydrazide?
The IUPAC name of 5-(5-chloro-2-cyanophenoxy)pentanehydrazide (CID 113277477) is 5-(5-chloro-2-cyanophenoxy)pentanehydrazide.
What is the SMILES notation for 5-(5-chloro-2-cyanophenoxy)pentanehydrazide?
The canonical SMILES for 5-(5-chloro-2-cyanophenoxy)pentanehydrazide is N#Cc1ccc(Cl)cc1OCCCCC(=O)NN.
What is the InChIKey of 5-(5-chloro-2-cyanophenoxy)pentanehydrazide?
The InChIKey is OTIYQLFUNQZMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-10-5-4-9(8-14)11(7-10)18-6-2-1-3-12(17)16-15/h4-5,7H,1-3,6,15H2,(H,16,17).
What are the key properties of 5-(5-chloro-2-cyanophenoxy)pentanehydrazide?
5-(5-chloro-2-cyanophenoxy)pentanehydrazide has a molecular weight of 267.72 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-cyanophenoxy)pentanehydrazide is sourced from PubChem (CID 113277477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).