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

C12H12N4O3 — CID 79259014

IUPAC[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c13-15-9-5-6-14-10(7-9)8-19-12-4-2-1-3-11(12)16(17)18/h1-7H,8,13H2,(H,14,15)
InChIKeyHDAUBPDMDAVQRN-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.85
Rot. Bonds5

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

[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine (PubChem CID 79259014) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is [2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
PubChem CID79259014
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c13-15-9-5-6-14-10(7-9)8-19-12-4-2-1-3-11(12)16(17)18/h1-7H,8,13H2,(H,14,15)
InChIKeyHDAUBPDMDAVQRN-UHFFFAOYSA-N
XLogP1.85
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260394
[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262177
2-[(2-methyl-3-nitrophenoxy)methyl]pyridin-4-amine
CID 79250743
[6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656024
[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259305
[2-[(2,5-difluorophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260041
[2-[(1-bromonaphthalen-2-yl)oxymethyl]-4-pyridinyl]hydrazine
CID 79262180
N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine
CID 104832414
[2-[(2,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260395
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
2-[(4-chloro-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79251756
3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole
CID 9013397

Frequently Asked Questions

What is the IUPAC name of [2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine (CID 79259014) is [2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine is NNc1ccnc(COc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of [2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine?
The InChIKey is HDAUBPDMDAVQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c13-15-9-5-6-14-10(7-9)8-19-12-4-2-1-3-11(12)16(17)18/h1-7H,8,13H2,(H,14,15).
What are the key properties of [2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine?
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine has a molecular weight of 260.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 79259014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).