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

C10H11Cl2N3O4 — CID 107501714

IUPAC2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide
SMILESCCC(Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C10H11Cl2N3O4/c1-2-8(10(16)14-13)19-9-4-6(12)5(11)3-7(9)15(17)18/h3-4,8H,2,13H2,1H3,(H,14,16)
InChIKeyPTRAGYHUZPOKEB-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.05
Rot. Bonds5

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

2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide (PubChem CID 107501714) has the molecular formula C10H11Cl2N3O4 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide.

Molecular Properties

Compound Name2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide
PubChem CID107501714
Molecular FormulaC10H11Cl2N3O4
Molecular Weight308.12 g/mol
Exact Mass307.01
IUPAC Name2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide
SMILESCCC(Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C10H11Cl2N3O4/c1-2-8(10(16)14-13)19-9-4-6(12)5(11)3-7(9)15(17)18/h3-4,8H,2,13H2,1H3,(H,14,16)
InChIKeyPTRAGYHUZPOKEB-UHFFFAOYSA-N
XLogP2.05
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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

2-(4,5-dichloro-2-nitrophenoxy)butanoic acid
CID 57418653
2-(2-nitrophenoxy)butanehydrazide
CID 54792980
methyl 2-(4,5-dichloro-2-nitrophenoxy)hexanoate
CID 107499202
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229241
3-(4,5-dichloro-2-nitrophenoxy)butan-2-ol
CID 107501296
2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide
CID 55213215
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide
CID 55214576
ethyl 2-(5-chloro-2-nitrophenoxy)butanoate
CID 64662459
2-(4-cyano-2-nitrophenoxy)pentanehydrazide
CID 83047253
2-(4-chloro-2-nitrophenoxy)butanoate
CID 57346613
2-(2-bromo-4-chlorophenoxy)butanehydrazide
CID 54792634
2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229182

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide?
The IUPAC name of 2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide (CID 107501714) is 2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide.
What is the SMILES notation for 2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide?
The canonical SMILES for 2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide is CCC(Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide?
The InChIKey is PTRAGYHUZPOKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O4/c1-2-8(10(16)14-13)19-9-4-6(12)5(11)3-7(9)15(17)18/h3-4,8H,2,13H2,1H3,(H,14,16).
What are the key properties of 2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide?
2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide has a molecular weight of 308.12 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide is sourced from PubChem (CID 107501714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).