2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine

C9H9F3N2O4 — CID 90156256

IUPAC2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine
SMILESCOCCOc1nc(C(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H9F3N2O4/c1-17-4-5-18-8-6(14(15)16)2-3-7(13-8)9(10,11)12/h2-3H,4-5H2,1H3
InChIKeyRHTJQYNVINBAGZ-UHFFFAOYSA-N
MW266.17 g/mol
LogP2.03
Rot. Bonds5

About 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine

2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine (PubChem CID 90156256) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine
PubChem CID90156256
Molecular FormulaC9H9F3N2O4
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine
SMILESCOCCOc1nc(C(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H9F3N2O4/c1-17-4-5-18-8-6(14(15)16)2-3-7(13-8)9(10,11)12/h2-3H,4-5H2,1H3
InChIKeyRHTJQYNVINBAGZ-UHFFFAOYSA-N
XLogP2.03
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine (CID 90156256) is 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine is COCCOc1nc(C(F)(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine?
The InChIKey is RHTJQYNVINBAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4/c1-17-4-5-18-8-6(14(15)16)2-3-7(13-8)9(10,11)12/h2-3H,4-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine?
2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine has a molecular weight of 266.17 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-3-nitro-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 90156256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).