3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine

C14H13FN2O4 — CID 77297334

IUPAC3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine
SMILESCOc1ccc(F)cc1C(C)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O4/c1-9(11-8-10(15)5-6-12(11)20-2)21-13-4-3-7-16-14(13)17(18)19/h3-9H,1-2H3
InChIKeyYRTNJWURZFZAPJ-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.28
Rot. Bonds5

About 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine

3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine (PubChem CID 77297334) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine
PubChem CID77297334
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine
SMILESCOc1ccc(F)cc1C(C)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O4/c1-9(11-8-10(15)5-6-12(11)20-2)21-13-4-3-7-16-14(13)17(18)19/h3-9H,1-2H3
InChIKeyYRTNJWURZFZAPJ-UHFFFAOYSA-N
XLogP3.28
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine?
The IUPAC name of 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine (CID 77297334) is 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine.
What is the SMILES notation for 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine?
The canonical SMILES for 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine is COc1ccc(F)cc1C(C)Oc1cccnc1[N+](=O)[O-].
What is the InChIKey of 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine?
The InChIKey is YRTNJWURZFZAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-9(11-8-10(15)5-6-12(11)20-2)21-13-4-3-7-16-14(13)17(18)19/h3-9H,1-2H3.
What are the key properties of 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine?
3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine has a molecular weight of 292.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-2-nitropyridine is sourced from PubChem (CID 77297334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).