2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide

C10H14N4O4 — CID 55214576

IUPAC2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide
SMILESCCC(Oc1ccc(C)nc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C10H14N4O4/c1-3-7(10(15)13-11)18-8-5-4-6(2)12-9(8)14(16)17/h4-5,7H,3,11H2,1-2H3,(H,13,15)
InChIKeyHMCYKLBRKSRTCL-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.45
Rot. Bonds5

About 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide (PubChem CID 55214576) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide.

Molecular Properties

Compound Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide
PubChem CID55214576
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide
SMILESCCC(Oc1ccc(C)nc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C10H14N4O4/c1-3-7(10(15)13-11)18-8-5-4-6(2)12-9(8)14(16)17/h4-5,7H,3,11H2,1-2H3,(H,13,15)
InChIKeyHMCYKLBRKSRTCL-UHFFFAOYSA-N
XLogP0.45
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide?
The IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide (CID 55214576) is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide.
What is the SMILES notation for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide?
The canonical SMILES for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide is CCC(Oc1ccc(C)nc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide?
The InChIKey is HMCYKLBRKSRTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-3-7(10(15)13-11)18-8-5-4-6(2)12-9(8)14(16)17/h4-5,7H,3,11H2,1-2H3,(H,13,15).
What are the key properties of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide?
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide has a molecular weight of 254.25 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide is sourced from PubChem (CID 55214576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).