2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide

C11H13BrClN3O4 — CID 83048156

IUPAC2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide
SMILESCCCC(Oc1c(Br)cc(Cl)cc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C11H13BrClN3O4/c1-2-3-9(11(17)15-14)20-10-7(12)4-6(13)5-8(10)16(18)19/h4-5,9H,2-3,14H2,1H3,(H,15,17)
InChIKeyJSBXUGLCCQTMSV-UHFFFAOYSA-N
MW366.60 g/mol
LogP2.55
Rot. Bonds6

About 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide

2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide (PubChem CID 83048156) has the molecular formula C11H13BrClN3O4 and a molecular weight of 366.60 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide
PubChem CID83048156
Molecular FormulaC11H13BrClN3O4
Molecular Weight366.60 g/mol
Exact Mass364.98
IUPAC Name2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide
SMILESCCCC(Oc1c(Br)cc(Cl)cc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C11H13BrClN3O4/c1-2-3-9(11(17)15-14)20-10-7(12)4-6(13)5-8(10)16(18)19/h4-5,9H,2-3,14H2,1H3,(H,15,17)
InChIKeyJSBXUGLCCQTMSV-UHFFFAOYSA-N
XLogP2.55
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 52.55
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

4-(2-bromo-4-chloro-6-nitrophenoxy)pentan-2-one
CID 64699173
2-(2-methyl-6-nitrophenoxy)pentanehydrazide
CID 83048033
2-(2-bromo-4-fluoro-6-nitrophenoxy)pentanoic acid
CID 83038728
2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
CID 104832467
methyl 3-(2-bromo-4-chloro-6-nitrophenoxy)-2-methylpropanoate
CID 43538092
4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide
CID 63569638
2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide
CID 107501714
1-(2-bromo-4-chloro-6-nitrophenoxy)-3-(propylamino)propan-2-ol
CID 43379234
2-(4-cyano-2-nitrophenoxy)pentanehydrazide
CID 83047253
1-(2-bromo-4-chloro-6-nitrophenoxy)-3-(ethylamino)propan-2-ol
CID 43379235
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229241
2-(2-bromo-4-chlorophenoxy)butanehydrazide
CID 54792634

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide?
The IUPAC name of 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide (CID 83048156) is 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide.
What is the SMILES notation for 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide?
The canonical SMILES for 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide is CCCC(Oc1c(Br)cc(Cl)cc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide?
The InChIKey is JSBXUGLCCQTMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O4/c1-2-3-9(11(17)15-14)20-10-7(12)4-6(13)5-8(10)16(18)19/h4-5,9H,2-3,14H2,1H3,(H,15,17).
What are the key properties of 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide?
2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide has a molecular weight of 366.60 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide is sourced from PubChem (CID 83048156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).