4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide

C10H11Cl2N3O4 — CID 63569444

IUPAC4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11Cl2N3O4/c11-7-4-6(15(17)18)5-8(12)10(7)19-3-1-2-9(16)14-13/h4-5H,1-3,13H2,(H,14,16)
InChIKeyMWKKDHIUWCAGKD-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.05
Rot. Bonds6

About 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide

4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide (PubChem CID 63569444) has the molecular formula C10H11Cl2N3O4 and a molecular weight of 308.12 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide
PubChem CID63569444
Molecular FormulaC10H11Cl2N3O4
Molecular Weight308.12 g/mol
Exact Mass307.01
IUPAC Name4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11Cl2N3O4/c11-7-4-6(15(17)18)5-8(12)10(7)19-3-1-2-9(16)14-13/h4-5H,1-3,13H2,(H,14,16)
InChIKeyMWKKDHIUWCAGKD-UHFFFAOYSA-N
XLogP2.05
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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': '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

4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide
CID 55212631
4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide
CID 63569638
3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 76935361
5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide
CID 62097780
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
CID 107501706
methyl 4-(2,6-dichloro-4-nitrophenoxy)-2-(methylamino)butanoate
CID 63035666
2-amino-4-(2,6-dichloro-4-nitrophenoxy)-2-methylbutanenitrile
CID 62098810
3-chloro-5-nitro-2-pentoxybenzoic acid
CID 107186793
4-(4-bromo-2-nitrophenoxy)butanehydrazide
CID 65430385
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
3-chloro-2-(2-methoxyethoxy)-5-nitrobenzoic acid
CID 107186692
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide?
The IUPAC name of 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide (CID 63569444) is 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide.
What is the SMILES notation for 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide?
The canonical SMILES for 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide is NNC(=O)CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide?
The InChIKey is MWKKDHIUWCAGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O4/c11-7-4-6(15(17)18)5-8(12)10(7)19-3-1-2-9(16)14-13/h4-5H,1-3,13H2,(H,14,16).
What are the key properties of 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide?
4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide has a molecular weight of 308.12 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide is sourced from PubChem (CID 63569444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).