3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one

C9H8N2O4 — CID 66368057

IUPAC3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one
SMILESO=C1CC(Oc2cccnc2[N+](=O)[O-])C1
InChIInChI=1S/C9H8N2O4/c12-6-4-7(5-6)15-8-2-1-3-10-9(8)11(13)14/h1-3,7H,4-5H2
InChIKeySGBGJSYYVSRXDQ-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.10
Rot. Bonds3

About 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one

3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one (PubChem CID 66368057) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one.

Molecular Properties

Compound Name3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one
PubChem CID66368057
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one
SMILESO=C1CC(Oc2cccnc2[N+](=O)[O-])C1
InChIInChI=1S/C9H8N2O4/c12-6-4-7(5-6)15-8-2-1-3-10-9(8)11(13)14/h1-3,7H,4-5H2
InChIKeySGBGJSYYVSRXDQ-UHFFFAOYSA-N
XLogP1.10
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-nitropyridine
CID 556063
3-[(2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-one
CID 107942268
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
3-decoxy-2-nitropyridine
CID 152620226
(3S)-1-(2-chlorophenyl)-3-[(2-nitro-3-pyridinyl)oxy]pyrrolidin-2-one
CID 95620094
N-methyl-3-[(2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
CID 107943455
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
(2-nitro-3-pyridinyl) N-methylcarbamate
CID 45116340
2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine
CID 104676250
3-[[1-(bromomethyl)cyclobutyl]methoxy]-2-nitropyridine
CID 65007945
1-chloro-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 112560608

Frequently Asked Questions

What is the IUPAC name of 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one?
The IUPAC name of 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one (CID 66368057) is 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one.
What is the SMILES notation for 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one?
The canonical SMILES for 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one is O=C1CC(Oc2cccnc2[N+](=O)[O-])C1.
What is the InChIKey of 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one?
The InChIKey is SGBGJSYYVSRXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-6-4-7(5-6)15-8-2-1-3-10-9(8)11(13)14/h1-3,7H,4-5H2.
What are the key properties of 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one?
3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one has a molecular weight of 208.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one is sourced from PubChem (CID 66368057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).