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

C9H12N4O4 — CID 55213215

IUPAC2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide
SMILESCCC(Oc1cccnc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C9H12N4O4/c1-2-6(9(14)12-10)17-7-4-3-5-11-8(7)13(15)16/h3-6H,2,10H2,1H3,(H,12,14)
InChIKeyMCZHYJUVHYEPQP-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.14
Rot. Bonds5

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

2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide (PubChem CID 55213215) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide.

Molecular Properties

Compound Name2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide
PubChem CID55213215
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide
SMILESCCC(Oc1cccnc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C9H12N4O4/c1-2-6(9(14)12-10)17-7-4-3-5-11-8(7)13(15)16/h3-6H,2,10H2,1H3,(H,12,14)
InChIKeyMCZHYJUVHYEPQP-UHFFFAOYSA-N
XLogP0.14
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.14
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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Related Compounds

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide
CID 55214576
2-(2-nitrophenoxy)butanehydrazide
CID 54792980
2-quinolin-8-yloxybutanehydrazide
CID 63575214
(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
CID 103547811
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide
CID 107501714
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968
(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 40662422
N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974844
(2-nitro-3-pyridinyl) N-methylcarbamate
CID 45116340
N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 18077542

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide?
The IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide (CID 55213215) is 2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide.
What is the SMILES notation for 2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide?
The canonical SMILES for 2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide is CCC(Oc1cccnc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide?
The InChIKey is MCZHYJUVHYEPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-2-6(9(14)12-10)17-7-4-3-5-11-8(7)13(15)16/h3-6H,2,10H2,1H3,(H,12,14).
What are the key properties of 2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide?
2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide has a molecular weight of 240.22 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide is sourced from PubChem (CID 55213215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).