2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine

C9H12FNO2 — CID 68721997

IUPAC2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine
SMILESCOCOCCc1ccc(F)nc1
InChIInChI=1S/C9H12FNO2/c1-12-7-13-5-4-8-2-3-9(10)11-6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyXINYYOQYGFXMOQ-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.38
Rot. Bonds5

About 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine

2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine (PubChem CID 68721997) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine
PubChem CID68721997
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine
SMILESCOCOCCc1ccc(F)nc1
InChIInChI=1S/C9H12FNO2/c1-12-7-13-5-4-8-2-3-9(10)11-6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyXINYYOQYGFXMOQ-UHFFFAOYSA-N
XLogP1.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine?
The IUPAC name of 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine (CID 68721997) is 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine?
The canonical SMILES for 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine is COCOCCc1ccc(F)nc1.
What is the InChIKey of 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine?
The InChIKey is XINYYOQYGFXMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-12-7-13-5-4-8-2-3-9(10)11-6-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine?
2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine has a molecular weight of 185.20 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(methoxymethoxy)ethyl]pyridine is sourced from PubChem (CID 68721997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).