[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine

C13H11ClFN3O3 — CID 116689933

IUPAC[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESNNc1cc(COc2cccc(Cl)c2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClFN3O3/c14-9-2-1-3-12(13(9)15)21-7-8-4-5-11(18(19)20)10(6-8)17-16/h1-6,17H,7,16H2
InChIKeyPJVMAZHQTYBJRO-UHFFFAOYSA-N
MW311.70 g/mol
LogP3.25
Rot. Bonds5

About [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine

[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine (PubChem CID 116689933) has the molecular formula C13H11ClFN3O3 and a molecular weight of 311.70 g/mol. Its IUPAC name is [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine
PubChem CID116689933
Molecular FormulaC13H11ClFN3O3
Molecular Weight311.70 g/mol
Exact Mass311.05
IUPAC Name[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESNNc1cc(COc2cccc(Cl)c2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClFN3O3/c14-9-2-1-3-12(13(9)15)21-7-8-4-5-11(18(19)20)10(6-8)17-16/h1-6,17H,7,16H2
InChIKeyPJVMAZHQTYBJRO-UHFFFAOYSA-N
XLogP3.25
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107660728
[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244311
[5-[(5-bromo-2-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107285513
[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 63273017
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
5-(3-chloro-2-fluorophenoxy)-2-nitroaniline
CID 106752111
[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 83136867
[3-chloro-2-[(3-fluoro-4-nitrophenyl)methoxy]phenyl]methanamine
CID 115951977
1-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-2-fluorobenzene
CID 107882569
2-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-1-fluorobenzene
CID 103038450
3-(3-chloro-2-fluorophenoxy)-4-nitrobenzoic acid
CID 116688858

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine (CID 116689933) is [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine is NNc1cc(COc2cccc(Cl)c2F)ccc1[N+](=O)[O-].
What is the InChIKey of [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is PJVMAZHQTYBJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O3/c14-9-2-1-3-12(13(9)15)21-7-8-4-5-11(18(19)20)10(6-8)17-16/h1-6,17H,7,16H2.
What are the key properties of [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine?
[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine has a molecular weight of 311.70 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 116689933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).