3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine

C9H9BrFNO — CID 155463701

IUPAC3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine
SMILESC=C(OCC)c1ncc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-3-13-6(2)9-8(10)4-7(11)5-12-9/h4-5H,2-3H2,1H3
InChIKeyHFVGIMCTLNGIKP-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.99
Rot. Bonds3

About 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine

3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine (PubChem CID 155463701) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine
PubChem CID155463701
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine
SMILESC=C(OCC)c1ncc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-3-13-6(2)9-8(10)4-7(11)5-12-9/h4-5H,2-3H2,1H3
InChIKeyHFVGIMCTLNGIKP-UHFFFAOYSA-N
XLogP2.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine?
The IUPAC name of 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine (CID 155463701) is 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine.
What is the SMILES notation for 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine?
The canonical SMILES for 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine is C=C(OCC)c1ncc(F)cc1Br.
What is the InChIKey of 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine?
The InChIKey is HFVGIMCTLNGIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-3-13-6(2)9-8(10)4-7(11)5-12-9/h4-5H,2-3H2,1H3.
What are the key properties of 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine?
3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine has a molecular weight of 246.08 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine is sourced from PubChem (CID 155463701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).