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

C11H12BrF2NO — CID 166125086

IUPAC5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine
SMILESCC1COCCC1(F)c1cc(Br)cnc1F
InChIInChI=1S/C11H12BrF2NO/c1-7-6-16-3-2-11(7,14)9-4-8(12)5-15-10(9)13/h4-5,7H,2-3,6H2,1H3
InChIKeyYARQWKRJYWAFOT-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.20
Rot. Bonds1

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

5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine (PubChem CID 166125086) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine
PubChem CID166125086
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine
SMILESCC1COCCC1(F)c1cc(Br)cnc1F
InChIInChI=1S/C11H12BrF2NO/c1-7-6-16-3-2-11(7,14)9-4-8(12)5-15-10(9)13/h4-5,7H,2-3,6H2,1H3
InChIKeyYARQWKRJYWAFOT-UHFFFAOYSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.20
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-fluoro-3-methyloxan-4-yl)pyridine?
The IUPAC name of 5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine (CID 166125086) is 5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine.
What is the SMILES notation for 5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine?
The canonical SMILES for 5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine is CC1COCCC1(F)c1cc(Br)cnc1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine?
The InChIKey is YARQWKRJYWAFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-7-6-16-3-2-11(7,14)9-4-8(12)5-15-10(9)13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine?
5-bromo-2-fluoro-3-(4-fluoro-3-methyloxan-4-yl)pyridine has a molecular weight of 292.12 g/mol, XLogP of 3.20, 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-fluoro-3-methyloxan-4-yl)pyridine is sourced from PubChem (CID 166125086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).