2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine

C11H9F3N4O3 — CID 169188517

IUPAC2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine
SMILESCCn1ccc(Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O3/c1-2-17-4-3-9(16-17)21-10-8(11(12,13)14)5-7(6-15-10)18(19)20/h3-6H,2H2,1H3
InChIKeyLBPYSRHXNGZTSS-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.02
Rot. Bonds4

About 2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine

2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine (PubChem CID 169188517) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine
PubChem CID169188517
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC Name2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine
SMILESCCn1ccc(Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O3/c1-2-17-4-3-9(16-17)21-10-8(11(12,13)14)5-7(6-15-10)18(19)20/h3-6H,2H2,1H3
InChIKeyLBPYSRHXNGZTSS-UHFFFAOYSA-N
XLogP3.02
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine (CID 169188517) is 2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine is CCn1ccc(Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)n1.
What is the InChIKey of 2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine?
The InChIKey is LBPYSRHXNGZTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c1-2-17-4-3-9(16-17)21-10-8(11(12,13)14)5-7(6-15-10)18(19)20/h3-6H,2H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine?
2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine has a molecular weight of 302.21 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-3-yl)oxy-5-nitro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 169188517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).