5-[(E)-but-2-enoxy]-2-fluoropyridine

C9H10FNO — CID 115371580

IUPAC5-[(E)-but-2-enoxy]-2-fluoropyridine
SMILESC/C=C/COc1ccc(F)nc1
InChIInChI=1S/C9H10FNO/c1-2-3-6-12-8-4-5-9(10)11-7-8/h2-5,7H,6H2,1H3/b3-2+
InChIKeySVNLNCCCPAIHFE-NSCUHMNNSA-N
MW167.18 g/mol
LogP2.18
Rot. Bonds3

About 5-[(E)-but-2-enoxy]-2-fluoropyridine

5-[(E)-but-2-enoxy]-2-fluoropyridine (PubChem CID 115371580) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 5-[(E)-but-2-enoxy]-2-fluoropyridine.

Molecular Properties

Compound Name5-[(E)-but-2-enoxy]-2-fluoropyridine
PubChem CID115371580
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name5-[(E)-but-2-enoxy]-2-fluoropyridine
SMILESC/C=C/COc1ccc(F)nc1
InChIInChI=1S/C9H10FNO/c1-2-3-6-12-8-4-5-9(10)11-7-8/h2-5,7H,6H2,1H3/b3-2+
InChIKeySVNLNCCCPAIHFE-NSCUHMNNSA-N
XLogP2.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-enoxy]-2-fluoropyridine?
The IUPAC name of 5-[(E)-but-2-enoxy]-2-fluoropyridine (CID 115371580) is 5-[(E)-but-2-enoxy]-2-fluoropyridine.
What is the SMILES notation for 5-[(E)-but-2-enoxy]-2-fluoropyridine?
The canonical SMILES for 5-[(E)-but-2-enoxy]-2-fluoropyridine is C/C=C/COc1ccc(F)nc1.
What is the InChIKey of 5-[(E)-but-2-enoxy]-2-fluoropyridine?
The InChIKey is SVNLNCCCPAIHFE-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10FNO/c1-2-3-6-12-8-4-5-9(10)11-7-8/h2-5,7H,6H2,1H3/b3-2+.
What are the key properties of 5-[(E)-but-2-enoxy]-2-fluoropyridine?
5-[(E)-but-2-enoxy]-2-fluoropyridine has a molecular weight of 167.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-enoxy]-2-fluoropyridine is sourced from PubChem (CID 115371580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).