2-ethoxy-6-methyl-3-nitropyridine

C8H10N2O3 — CID 133057492

IUPAC2-ethoxy-6-methyl-3-nitropyridine
SMILESCCOc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-3-13-8-7(10(11)12)5-4-6(2)9-8/h4-5H,3H2,1-2H3
InChIKeyJKYQEYMGKFUOMI-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.70
Rot. Bonds3

About 2-ethoxy-6-methyl-3-nitropyridine

2-ethoxy-6-methyl-3-nitropyridine (PubChem CID 133057492) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-ethoxy-6-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-ethoxy-6-methyl-3-nitropyridine
PubChem CID133057492
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-ethoxy-6-methyl-3-nitropyridine
SMILESCCOc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-3-13-8-7(10(11)12)5-4-6(2)9-8/h4-5H,3H2,1-2H3
InChIKeyJKYQEYMGKFUOMI-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

O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851
N-[2-[(6-methyl-3-nitro-2-pyridinyl)oxy]ethyl]propan-1-amine
CID 81137582
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
2-ethoxy-3-methyl-4-nitropyridine
CID 133054442
6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 81137313
2-(4-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131555
2-(2-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131791
2-ethoxy-3-nitro-1,8-naphthyridine
CID 12857736
6-ethoxy-3-nitropyridine-2-carbaldehyde
CID 86659062
tert-butyl N-[3-[(6-methyl-3-nitro-2-pyridinyl)oxy]propyl]carbamate;carbon dioxide
CID 159405192
2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436
(2S)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-3-[(6-methyl-3-nitro-2-pyridinyl)oxy]propanoic acid
CID 126504089

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methyl-3-nitropyridine?
The IUPAC name of 2-ethoxy-6-methyl-3-nitropyridine (CID 133057492) is 2-ethoxy-6-methyl-3-nitropyridine.
What is the SMILES notation for 2-ethoxy-6-methyl-3-nitropyridine?
The canonical SMILES for 2-ethoxy-6-methyl-3-nitropyridine is CCOc1nc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-ethoxy-6-methyl-3-nitropyridine?
The InChIKey is JKYQEYMGKFUOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-13-8-7(10(11)12)5-4-6(2)9-8/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-6-methyl-3-nitropyridine?
2-ethoxy-6-methyl-3-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-6-methyl-3-nitropyridine is sourced from PubChem (CID 133057492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).