3-bromo-2-(4-fluorophenoxy)-5-methylpyridine

C12H9BrFNO — CID 105368202

IUPAC3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C12H9BrFNO/c1-8-6-11(13)12(15-7-8)16-10-4-2-9(14)3-5-10/h2-7H,1H3
InChIKeyMVUANXIVICYPJH-UHFFFAOYSA-N
MW282.11 g/mol
LogP4.08
Rot. Bonds2

About 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine

3-bromo-2-(4-fluorophenoxy)-5-methylpyridine (PubChem CID 105368202) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
PubChem CID105368202
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C12H9BrFNO/c1-8-6-11(13)12(15-7-8)16-10-4-2-9(14)3-5-10/h2-7H,1H3
InChIKeyMVUANXIVICYPJH-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine (CID 105368202) is 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine is Cc1cnc(Oc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine?
The InChIKey is MVUANXIVICYPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c1-8-6-11(13)12(15-7-8)16-10-4-2-9(14)3-5-10/h2-7H,1H3.
What are the key properties of 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine?
3-bromo-2-(4-fluorophenoxy)-5-methylpyridine has a molecular weight of 282.11 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-fluorophenoxy)-5-methylpyridine is sourced from PubChem (CID 105368202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).