2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine

C14H12Br2FNO2 — CID 129188268

IUPAC2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine
SMILESCOC(C)c1c(F)cccc1Oc1cnc(Br)c(Br)c1
InChIInChI=1S/C14H12Br2FNO2/c1-8(19-2)13-11(17)4-3-5-12(13)20-9-6-10(15)14(16)18-7-9/h3-8H,1-2H3
InChIKeyMMOMSSAPCJZZIB-UHFFFAOYSA-N
MW405.06 g/mol
LogP5.25
Rot. Bonds4

About 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine

2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine (PubChem CID 129188268) has the molecular formula C14H12Br2FNO2 and a molecular weight of 405.06 g/mol. Its IUPAC name is 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine.

Molecular Properties

Compound Name2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine
PubChem CID129188268
Molecular FormulaC14H12Br2FNO2
Molecular Weight405.06 g/mol
Exact Mass402.92
IUPAC Name2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine
SMILESCOC(C)c1c(F)cccc1Oc1cnc(Br)c(Br)c1
InChIInChI=1S/C14H12Br2FNO2/c1-8(19-2)13-11(17)4-3-5-12(13)20-9-6-10(15)14(16)18-7-9/h3-8H,1-2H3
InChIKeyMMOMSSAPCJZZIB-UHFFFAOYSA-N
XLogP5.25
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.06
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine?
The IUPAC name of 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine (CID 129188268) is 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine.
What is the SMILES notation for 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine?
The canonical SMILES for 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine is COC(C)c1c(F)cccc1Oc1cnc(Br)c(Br)c1.
What is the InChIKey of 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine?
The InChIKey is MMOMSSAPCJZZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO2/c1-8(19-2)13-11(17)4-3-5-12(13)20-9-6-10(15)14(16)18-7-9/h3-8H,1-2H3.
What are the key properties of 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine?
2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine has a molecular weight of 405.06 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine is sourced from PubChem (CID 129188268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).