2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine

C13H10BrF2NO — CID 87326846

IUPAC2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine
SMILESCC(Oc1ccc(F)cc1F)c1cccc(Br)n1
InChIInChI=1S/C13H10BrF2NO/c1-8(11-3-2-4-13(14)17-11)18-12-6-5-9(15)7-10(12)16/h2-8H,1H3
InChIKeyQHMNLCPFNMCJDH-UHFFFAOYSA-N
MW314.13 g/mol
LogP4.26
Rot. Bonds3

About 2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine

2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine (PubChem CID 87326846) has the molecular formula C13H10BrF2NO and a molecular weight of 314.13 g/mol. Its IUPAC name is 2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine
PubChem CID87326846
Molecular FormulaC13H10BrF2NO
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine
SMILESCC(Oc1ccc(F)cc1F)c1cccc(Br)n1
InChIInChI=1S/C13H10BrF2NO/c1-8(11-3-2-4-13(14)17-11)18-12-6-5-9(15)7-10(12)16/h2-8H,1H3
InChIKeyQHMNLCPFNMCJDH-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 54.26
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-[1-(2,4-difluorophenoxy)ethyl]pyridine?
The IUPAC name of 2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine (CID 87326846) is 2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine.
What is the SMILES notation for 2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine?
The canonical SMILES for 2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine is CC(Oc1ccc(F)cc1F)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine?
The InChIKey is QHMNLCPFNMCJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO/c1-8(11-3-2-4-13(14)17-11)18-12-6-5-9(15)7-10(12)16/h2-8H,1H3.
What are the key properties of 2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine?
2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine has a molecular weight of 314.13 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine is sourced from PubChem (CID 87326846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).