[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine

C13H11BrFN3O3 — CID 107353395

IUPAC[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
SMILESNNc1c(COc2cc(F)ccc2Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H11BrFN3O3/c14-10-5-4-9(15)6-12(10)21-7-8-2-1-3-11(18(19)20)13(8)17-16/h1-6,17H,7,16H2
InChIKeyQYYWIYVLCBHTCP-UHFFFAOYSA-N
MW356.15 g/mol
LogP3.36
Rot. Bonds5

About [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine

[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine (PubChem CID 107353395) has the molecular formula C13H11BrFN3O3 and a molecular weight of 356.15 g/mol. Its IUPAC name is [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
PubChem CID107353395
Molecular FormulaC13H11BrFN3O3
Molecular Weight356.15 g/mol
Exact Mass355.00
IUPAC Name[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
SMILESNNc1c(COc2cc(F)ccc2Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H11BrFN3O3/c14-10-5-4-9(15)6-12(10)21-7-8-2-1-3-11(18(19)20)13(8)17-16/h1-6,17H,7,16H2
InChIKeyQYYWIYVLCBHTCP-UHFFFAOYSA-N
XLogP3.36
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 53.36
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

[2-[(2-bromo-4-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353292
2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitroaniline
CID 107352443
[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353334
[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
CID 107353309
[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353306
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353455
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
3-[(2-bromo-5-fluorophenoxy)methyl]-2-fluoroaniline
CID 107347993
2-[(2-bromo-3-nitrophenoxy)methyl]-4-fluorobenzonitrile
CID 107903539
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine?
The IUPAC name of [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine (CID 107353395) is [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine is NNc1c(COc2cc(F)ccc2Br)cccc1[N+](=O)[O-].
What is the InChIKey of [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine?
The InChIKey is QYYWIYVLCBHTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O3/c14-10-5-4-9(15)6-12(10)21-7-8-2-1-3-11(18(19)20)13(8)17-16/h1-6,17H,7,16H2.
What are the key properties of [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine?
[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine has a molecular weight of 356.15 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine is sourced from PubChem (CID 107353395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).