5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine

C10H10BrF2NO — CID 166124893

IUPAC5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine
SMILESFc1ncc(Br)cc1C1(F)CCOCC1
InChIInChI=1S/C10H10BrF2NO/c11-7-5-8(9(12)14-6-7)10(13)1-3-15-4-2-10/h5-6H,1-4H2
InChIKeyDBCJNKSQMXMEQF-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.96
Rot. Bonds1

About 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine

5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine (PubChem CID 166124893) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine
PubChem CID166124893
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine
SMILESFc1ncc(Br)cc1C1(F)CCOCC1
InChIInChI=1S/C10H10BrF2NO/c11-7-5-8(9(12)14-6-7)10(13)1-3-15-4-2-10/h5-6H,1-4H2
InChIKeyDBCJNKSQMXMEQF-UHFFFAOYSA-N
XLogP2.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine?
The IUPAC name of 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine (CID 166124893) is 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine.
What is the SMILES notation for 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine?
The canonical SMILES for 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine is Fc1ncc(Br)cc1C1(F)CCOCC1.
What is the InChIKey of 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine?
The InChIKey is DBCJNKSQMXMEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c11-7-5-8(9(12)14-6-7)10(13)1-3-15-4-2-10/h5-6H,1-4H2.
What are the key properties of 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine?
5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine has a molecular weight of 278.10 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-(4-fluorooxan-4-yl)pyridine is sourced from PubChem (CID 166124893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).