2-ethoxy-3-methyl-4-nitropyridine

C8H10N2O3 — CID 133054442

IUPAC2-ethoxy-3-methyl-4-nitropyridine
SMILESCCOc1nccc([N+](=O)[O-])c1C
InChIInChI=1S/C8H10N2O3/c1-3-13-8-6(2)7(10(11)12)4-5-9-8/h4-5H,3H2,1-2H3
InChIKeyZVKJMGSZARTRPS-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.70
Rot. Bonds3

About 2-ethoxy-3-methyl-4-nitropyridine

2-ethoxy-3-methyl-4-nitropyridine (PubChem CID 133054442) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-4-nitropyridine.

Molecular Properties

Compound Name2-ethoxy-3-methyl-4-nitropyridine
PubChem CID133054442
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-ethoxy-3-methyl-4-nitropyridine
SMILESCCOc1nccc([N+](=O)[O-])c1C
InChIInChI=1S/C8H10N2O3/c1-3-13-8-6(2)7(10(11)12)4-5-9-8/h4-5H,3H2,1-2H3
InChIKeyZVKJMGSZARTRPS-UHFFFAOYSA-N
XLogP1.70
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-ethoxy-6-methyl-3-nitropyridine
CID 133057492
3-methyl-4-nitropyridin-2-amine
CID 19758038
3-methyl-4-nitropyridine-2-carboxylic acid
CID 21297413
3-methyl-4-nitropyridine-2-carbaldehyde
CID 118192717
4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol
CID 71372339
2-ethoxy-3-nitro-1,8-naphthyridine
CID 12857736
4-tert-butyl-2-ethoxy-3-methylpyridine
CID 58837611
4-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-2-amine
CID 103111788
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine
CID 43706375
3-chloro-2-methyl-4-nitropyridine
CID 21364039
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-4-nitropyridine?
The IUPAC name of 2-ethoxy-3-methyl-4-nitropyridine (CID 133054442) is 2-ethoxy-3-methyl-4-nitropyridine.
What is the SMILES notation for 2-ethoxy-3-methyl-4-nitropyridine?
The canonical SMILES for 2-ethoxy-3-methyl-4-nitropyridine is CCOc1nccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-ethoxy-3-methyl-4-nitropyridine?
The InChIKey is ZVKJMGSZARTRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-13-8-6(2)7(10(11)12)4-5-9-8/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-3-methyl-4-nitropyridine?
2-ethoxy-3-methyl-4-nitropyridine has a molecular weight of 182.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-4-nitropyridine is sourced from PubChem (CID 133054442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).