2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol

C11H14N2O5 — CID 113439670

IUPAC2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-6-3-4-8(11(12-6)13(15)16)18-9-5-7(14)10(9)17-2/h3-4,7,9-10,14H,5H2,1-2H3
InChIKeyMYJQMTAQPNESQD-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.83
Rot. Bonds4

About 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol

2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol (PubChem CID 113439670) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol.

Molecular Properties

Compound Name2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol
PubChem CID113439670
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-6-3-4-8(11(12-6)13(15)16)18-9-5-7(14)10(9)17-2/h3-4,7,9-10,14H,5H2,1-2H3
InChIKeyMYJQMTAQPNESQD-UHFFFAOYSA-N
XLogP0.83
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-4-nitrophenoxy)-2-methoxycyclobutan-1-ol
CID 104673652
N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
CID 107943626
3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-one
CID 107942327
3-(3-bromo-2,2-dimethylcyclobutyl)oxy-6-methyl-2-nitropyridine
CID 66344314
2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine
CID 66352883
1-[(6-methyl-2-nitro-3-pyridinyl)oxy]spiro[3.4]octan-3-one
CID 66368488
1-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 115576386
3-(4-methyl-2-nitrophenoxy)-2-propoxycyclobutan-1-ol
CID 107942567
3-(3-bromo-5-nitrophenoxy)-2-methoxycyclobutan-1-ol
CID 103589555
6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine
CID 2800220
N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4817886
N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine
CID 62098823

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol?
The IUPAC name of 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol (CID 113439670) is 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol.
What is the SMILES notation for 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol?
The canonical SMILES for 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol is COC1C(O)CC1Oc1ccc(C)nc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol?
The InChIKey is MYJQMTAQPNESQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-6-3-4-8(11(12-6)13(15)16)18-9-5-7(14)10(9)17-2/h3-4,7,9-10,14H,5H2,1-2H3.
What are the key properties of 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol?
2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol has a molecular weight of 254.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-ol is sourced from PubChem (CID 113439670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).