2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine

C13H11BrFNO — CID 87327236

IUPAC2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine
SMILESC[C@@H](Oc1cccc(F)c1)c1cccc(Br)n1
InChIInChI=1S/C13H11BrFNO/c1-9(12-6-3-7-13(14)16-12)17-11-5-2-4-10(15)8-11/h2-9H,1H3/t9-/m1/s1
InChIKeyJSTJKIRLQHXBFE-SECBINFHSA-N
MW296.14 g/mol
LogP4.12
Rot. Bonds3

About 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine

2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine (PubChem CID 87327236) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine
PubChem CID87327236
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine
SMILESC[C@@H](Oc1cccc(F)c1)c1cccc(Br)n1
InChIInChI=1S/C13H11BrFNO/c1-9(12-6-3-7-13(14)16-12)17-11-5-2-4-10(15)8-11/h2-9H,1H3/t9-/m1/s1
InChIKeyJSTJKIRLQHXBFE-SECBINFHSA-N
XLogP4.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 54.12
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 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine?
The IUPAC name of 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine (CID 87327236) is 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine.
What is the SMILES notation for 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine?
The canonical SMILES for 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine is C[C@@H](Oc1cccc(F)c1)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine?
The InChIKey is JSTJKIRLQHXBFE-SECBINFHSA-N. The full InChI is InChI=1S/C13H11BrFNO/c1-9(12-6-3-7-13(14)16-12)17-11-5-2-4-10(15)8-11/h2-9H,1H3/t9-/m1/s1.
What are the key properties of 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine?
2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine has a molecular weight of 296.14 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine is sourced from PubChem (CID 87327236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).