2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine

C10H9FN4O3 — CID 169188548

IUPAC2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine
SMILESCCn1ccc(Oc2ncc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C10H9FN4O3/c1-2-14-4-3-9(13-14)18-10-8(11)5-7(6-12-10)15(16)17/h3-6H,2H2,1H3
InChIKeyHYPDOWZVDGWMDJ-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.14
Rot. Bonds4

About 2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine

2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine (PubChem CID 169188548) has the molecular formula C10H9FN4O3 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine
PubChem CID169188548
Molecular FormulaC10H9FN4O3
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine
SMILESCCn1ccc(Oc2ncc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C10H9FN4O3/c1-2-14-4-3-9(13-14)18-10-8(11)5-7(6-12-10)15(16)17/h3-6H,2H2,1H3
InChIKeyHYPDOWZVDGWMDJ-UHFFFAOYSA-N
XLogP2.14
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.14
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-3-fluoro-5-nitropyridine?
The IUPAC name of 2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine (CID 169188548) is 2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine.
What is the SMILES notation for 2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine?
The canonical SMILES for 2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine is CCn1ccc(Oc2ncc([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine?
The InChIKey is HYPDOWZVDGWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3/c1-2-14-4-3-9(13-14)18-10-8(11)5-7(6-12-10)15(16)17/h3-6H,2H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine?
2-(1-ethylpyrazol-3-yl)oxy-3-fluoro-5-nitropyridine has a molecular weight of 252.21 g/mol, XLogP of 2.14, 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-3-fluoro-5-nitropyridine is sourced from PubChem (CID 169188548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).