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

C14H16N4O3 — CID 79262177

IUPAC[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
SMILESCc1cc(C)c(OCc2cc(NN)ccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-9-5-10(2)14(13(6-9)18(19)20)21-8-12-7-11(17-15)3-4-16-12/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyVQQXBFDSFKHMIR-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.47
Rot. Bonds5

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

[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine (PubChem CID 79262177) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
PubChem CID79262177
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
SMILESCc1cc(C)c(OCc2cc(NN)ccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-9-5-10(2)14(13(6-9)18(19)20)21-8-12-7-11(17-15)3-4-16-12/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyVQQXBFDSFKHMIR-UHFFFAOYSA-N
XLogP2.47
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine (CID 79262177) is [2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine is Cc1cc(C)c(OCc2cc(NN)ccn2)c([N+](=O)[O-])c1.
What is the InChIKey of [2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine?
The InChIKey is VQQXBFDSFKHMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-5-10(2)14(13(6-9)18(19)20)21-8-12-7-11(17-15)3-4-16-12/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of [2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine?
[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine has a molecular weight of 288.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 79262177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).