[2-nitro-6-(phenoxymethyl)phenyl]hydrazine

C13H13N3O3 — CID 107353309

IUPAC[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
SMILESNNc1c(COc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O3/c14-15-13-10(5-4-8-12(13)16(17)18)9-19-11-6-2-1-3-7-11/h1-8,15H,9,14H2
InChIKeyILHBDTPFNMUGOF-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.46
Rot. Bonds5

About [2-nitro-6-(phenoxymethyl)phenyl]hydrazine

[2-nitro-6-(phenoxymethyl)phenyl]hydrazine (PubChem CID 107353309) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is [2-nitro-6-(phenoxymethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
PubChem CID107353309
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
SMILESNNc1c(COc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O3/c14-15-13-10(5-4-8-12(13)16(17)18)9-19-11-6-2-1-3-7-11/h1-8,15H,9,14H2
InChIKeyILHBDTPFNMUGOF-UHFFFAOYSA-N
XLogP2.46
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.46
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-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353306
[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353334
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353395
[2-[(2-bromo-4-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353292
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
N-methyl-2-[(3-methylphenoxy)methyl]-6-nitroaniline
CID 107352140
N-methyl-4-[(2-nitrophenyl)methoxy]aniline
CID 61027197
1-chloro-3-nitro-2-(phenoxymethyl)benzene
CID 64765077
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
(1R)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 78937008
(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367375

Frequently Asked Questions

What is the IUPAC name of [2-nitro-6-(phenoxymethyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-6-(phenoxymethyl)phenyl]hydrazine (CID 107353309) is [2-nitro-6-(phenoxymethyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-6-(phenoxymethyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-6-(phenoxymethyl)phenyl]hydrazine is NNc1c(COc2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-6-(phenoxymethyl)phenyl]hydrazine?
The InChIKey is ILHBDTPFNMUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-15-13-10(5-4-8-12(13)16(17)18)9-19-11-6-2-1-3-7-11/h1-8,15H,9,14H2.
What are the key properties of [2-nitro-6-(phenoxymethyl)phenyl]hydrazine?
[2-nitro-6-(phenoxymethyl)phenyl]hydrazine has a molecular weight of 259.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-6-(phenoxymethyl)phenyl]hydrazine is sourced from PubChem (CID 107353309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).