2-ethoxy-3-(fluoromethyl)-5-nitropyridine

C8H9FN2O3 — CID 90443207

IUPAC2-ethoxy-3-(fluoromethyl)-5-nitropyridine
SMILESCCOc1ncc([N+](=O)[O-])cc1CF
InChIInChI=1S/C8H9FN2O3/c1-2-14-8-6(4-9)3-7(5-10-8)11(12)13/h3,5H,2,4H2,1H3
InChIKeyQIWRXDVFVNLJPW-UHFFFAOYSA-N
MW200.17 g/mol
LogP1.86
Rot. Bonds4

About 2-ethoxy-3-(fluoromethyl)-5-nitropyridine

2-ethoxy-3-(fluoromethyl)-5-nitropyridine (PubChem CID 90443207) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-ethoxy-3-(fluoromethyl)-5-nitropyridine.

Molecular Properties

Compound Name2-ethoxy-3-(fluoromethyl)-5-nitropyridine
PubChem CID90443207
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-ethoxy-3-(fluoromethyl)-5-nitropyridine
SMILESCCOc1ncc([N+](=O)[O-])cc1CF
InChIInChI=1S/C8H9FN2O3/c1-2-14-8-6(4-9)3-7(5-10-8)11(12)13/h3,5H,2,4H2,1H3
InChIKeyQIWRXDVFVNLJPW-UHFFFAOYSA-N
XLogP1.86
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(fluoromethyl)-5-nitropyridine?
The IUPAC name of 2-ethoxy-3-(fluoromethyl)-5-nitropyridine (CID 90443207) is 2-ethoxy-3-(fluoromethyl)-5-nitropyridine.
What is the SMILES notation for 2-ethoxy-3-(fluoromethyl)-5-nitropyridine?
The canonical SMILES for 2-ethoxy-3-(fluoromethyl)-5-nitropyridine is CCOc1ncc([N+](=O)[O-])cc1CF.
What is the InChIKey of 2-ethoxy-3-(fluoromethyl)-5-nitropyridine?
The InChIKey is QIWRXDVFVNLJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-2-14-8-6(4-9)3-7(5-10-8)11(12)13/h3,5H,2,4H2,1H3.
What are the key properties of 2-ethoxy-3-(fluoromethyl)-5-nitropyridine?
2-ethoxy-3-(fluoromethyl)-5-nitropyridine has a molecular weight of 200.17 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(fluoromethyl)-5-nitropyridine is sourced from PubChem (CID 90443207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).