3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine

C11H14N2O4 — CID 68620062

IUPAC3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine
SMILESCOCCOc1ncc([N+](=O)[O-])cc1C1CC1
InChIInChI=1S/C11H14N2O4/c1-16-4-5-17-11-10(8-2-3-8)6-9(7-12-11)13(14)15/h6-8H,2-5H2,1H3
InChIKeyCQQLSMFRGSAPMP-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.89
Rot. Bonds6

About 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine

3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine (PubChem CID 68620062) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine
PubChem CID68620062
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine
SMILESCOCCOc1ncc([N+](=O)[O-])cc1C1CC1
InChIInChI=1S/C11H14N2O4/c1-16-4-5-17-11-10(8-2-3-8)6-9(7-12-11)13(14)15/h6-8H,2-5H2,1H3
InChIKeyCQQLSMFRGSAPMP-UHFFFAOYSA-N
XLogP1.89
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-bromo-2-methoxy-5-nitropyridine;3-cyclopropyl-2-methoxy-5-nitropyridine;5-cyclopropyl-6-methoxypyridin-3-amine
CID 158990444
5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 14297058
2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine
CID 62476059
3-methoxy-2-(4-methylpentoxy)-5-nitropyridine
CID 58153349
methyl 2-cyclopropyl-4-nitrobenzoate
CID 71252214
(E)-3-[4-(2-methoxyethoxy)-2-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoic acid
CID 68550968
ethyl 5-nitro-2-propoxypyridine-3-carboxylate
CID 54001736
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
4-[(3-methoxy-5-nitro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid
CID 58231059
N-[3-(2-methoxyethoxy)propyl]-5-nitropyrimidin-2-amine
CID 113434393
potassium;2-[3-(2-methoxyethoxy)phenyl]-5-nitro-1H-pyrrolo[2,3-b]pyridine;2-methylpropan-2-olate
CID 69109687
2-methoxy-5-nitro-3-propan-2-ylpyridine
CID 175836556

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine?
The IUPAC name of 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine (CID 68620062) is 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine.
What is the SMILES notation for 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine?
The canonical SMILES for 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine is COCCOc1ncc([N+](=O)[O-])cc1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine?
The InChIKey is CQQLSMFRGSAPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-4-5-17-11-10(8-2-3-8)6-9(7-12-11)13(14)15/h6-8H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine?
3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine has a molecular weight of 238.24 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine is sourced from PubChem (CID 68620062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).