2-but-3-enoxy-6-fluoropyridine

C9H10FNO — CID 61227603

IUPAC2-but-3-enoxy-6-fluoropyridine
SMILESC=CCCOc1cccc(F)n1
InChIInChI=1S/C9H10FNO/c1-2-3-7-12-9-6-4-5-8(10)11-9/h2,4-6H,1,3,7H2
InChIKeyCAGXKVNTDUOUOQ-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.18
Rot. Bonds4

About 2-but-3-enoxy-6-fluoropyridine

2-but-3-enoxy-6-fluoropyridine (PubChem CID 61227603) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-but-3-enoxy-6-fluoropyridine.

Molecular Properties

Compound Name2-but-3-enoxy-6-fluoropyridine
PubChem CID61227603
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-but-3-enoxy-6-fluoropyridine
SMILESC=CCCOc1cccc(F)n1
InChIInChI=1S/C9H10FNO/c1-2-3-7-12-9-6-4-5-8(10)11-9/h2,4-6H,1,3,7H2
InChIKeyCAGXKVNTDUOUOQ-UHFFFAOYSA-N
XLogP2.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-6-fluoropyridine?
The IUPAC name of 2-but-3-enoxy-6-fluoropyridine (CID 61227603) is 2-but-3-enoxy-6-fluoropyridine.
What is the SMILES notation for 2-but-3-enoxy-6-fluoropyridine?
The canonical SMILES for 2-but-3-enoxy-6-fluoropyridine is C=CCCOc1cccc(F)n1.
What is the InChIKey of 2-but-3-enoxy-6-fluoropyridine?
The InChIKey is CAGXKVNTDUOUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-2-3-7-12-9-6-4-5-8(10)11-9/h2,4-6H,1,3,7H2.
What are the key properties of 2-but-3-enoxy-6-fluoropyridine?
2-but-3-enoxy-6-fluoropyridine has a molecular weight of 167.18 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-6-fluoropyridine is sourced from PubChem (CID 61227603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).