[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

C13H14N4O4 — CID 79233113

IUPAC[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCOc1ccc(OCc2cccc(NN)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O4/c1-20-10-5-6-12(11(7-10)17(18)19)21-8-9-3-2-4-13(15-9)16-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyLJQXZIKMFDIEAB-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.86
Rot. Bonds6

About [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 79233113) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID79233113
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCOc1ccc(OCc2cccc(NN)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O4/c1-20-10-5-6-12(11(7-10)17(18)19)21-8-9-3-2-4-13(15-9)16-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyLJQXZIKMFDIEAB-UHFFFAOYSA-N
XLogP1.86
TPSA112.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
CID 103202243
[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231223
[5-[(4-methoxy-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613395
6-[(4-chloro-2-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231263
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103589474
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771
6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 79234208
[4-[(6-hydrazinyl-2-pyridinyl)methoxy]-3-methoxyphenyl]methanol
CID 107744846
4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666676
[6-[(4-tert-butyl-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232587

Frequently Asked Questions

What is the IUPAC name of [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (CID 79233113) is [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is COc1ccc(OCc2cccc(NN)n2)c([N+](=O)[O-])c1.
What is the InChIKey of [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is LJQXZIKMFDIEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-20-10-5-6-12(11(7-10)17(18)19)21-8-9-3-2-4-13(15-9)16-14/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 290.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79233113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).