4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide

C9H12ClN3O2 — CID 64601650

IUPAC4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide
SMILESNNC(=O)CCCOc1cncc(Cl)c1
InChIInChI=1S/C9H12ClN3O2/c10-7-4-8(6-12-5-7)15-3-1-2-9(14)13-11/h4-6H,1-3,11H2,(H,13,14)
InChIKeyMIRRTASYYNYJEU-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.88
Rot. Bonds5

About 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide

4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide (PubChem CID 64601650) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide
PubChem CID64601650
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide
SMILESNNC(=O)CCCOc1cncc(Cl)c1
InChIInChI=1S/C9H12ClN3O2/c10-7-4-8(6-12-5-7)15-3-1-2-9(14)13-11/h4-6H,1-3,11H2,(H,13,14)
InChIKeyMIRRTASYYNYJEU-UHFFFAOYSA-N
XLogP0.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.88
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

4-(4-chlorophenoxy)butanehydrazide
CID 61059745
5-(3-chlorophenoxy)pentanehydrazide
CID 63575491
3-chloro-5-(4-chlorobutoxy)pyridine
CID 64601364
3-chloro-5-(2-chloroethoxy)pyridine
CID 10559633
tert-butyl 3-[(5-chloro-3-pyridinyl)oxy]propanoate
CID 116659230
3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide
CID 64601175
3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
CID 64601823
methyl 4-[(5-chloro-3-pyridinyl)oxy]-2-ethylbut-2-enoate
CID 77101807
methyl 2-bromo-3-[(5-chloro-3-pyridinyl)oxy]propanoate
CID 81092460
4-(4-formylphenoxy)butanehydrazide
CID 63568719
4-(2-chloro-4-methylphenoxy)butanehydrazide
CID 54793096
4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide
CID 63569444

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide (CID 64601650) is 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide is NNC(=O)CCCOc1cncc(Cl)c1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide?
The InChIKey is MIRRTASYYNYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-7-4-8(6-12-5-7)15-3-1-2-9(14)13-11/h4-6H,1-3,11H2,(H,13,14).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide?
4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide has a molecular weight of 229.67 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide is sourced from PubChem (CID 64601650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).