5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide

C11H13Cl2N3O4 — CID 107501706

IUPAC5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13Cl2N3O4/c12-7-5-9(16(18)19)10(6-8(7)13)20-4-2-1-3-11(17)15-14/h5-6H,1-4,14H2,(H,15,17)
InChIKeyPREQNPQKKMPSMJ-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.44
Rot. Bonds7

About 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide

5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide (PubChem CID 107501706) has the molecular formula C11H13Cl2N3O4 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide.

Molecular Properties

Compound Name5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
PubChem CID107501706
Molecular FormulaC11H13Cl2N3O4
Molecular Weight322.15 g/mol
Exact Mass321.03
IUPAC Name5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13Cl2N3O4/c12-7-5-9(16(18)19)10(6-8(7)13)20-4-2-1-3-11(17)15-14/h5-6H,1-4,14H2,(H,15,17)
InChIKeyPREQNPQKKMPSMJ-UHFFFAOYSA-N
XLogP2.44
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluoro-2-nitrophenoxy)pentanehydrazide
CID 63568590
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
4-(4-bromo-2-nitrophenoxy)butanehydrazide
CID 65430385
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide
CID 63569444
3-(4,5-dichloro-2-nitrophenoxy)propanal
CID 107500535
4-(4,5-dichloro-2-nitrophenoxy)butane-1-sulfonyl chloride
CID 107501718
4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide
CID 63569638
5-(2-chloro-5-methylphenoxy)pentanehydrazide
CID 63576775
5-(2-chloro-4-formylphenoxy)pentanehydrazide
CID 55214580

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide?
The IUPAC name of 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide (CID 107501706) is 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide.
What is the SMILES notation for 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide?
The canonical SMILES for 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide is NNC(=O)CCCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide?
The InChIKey is PREQNPQKKMPSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O4/c12-7-5-9(16(18)19)10(6-8(7)13)20-4-2-1-3-11(17)15-14/h5-6H,1-4,14H2,(H,15,17).
What are the key properties of 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide?
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide has a molecular weight of 322.15 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide is sourced from PubChem (CID 107501706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).