2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine

C13H11BrFNO — CID 83236086

IUPAC2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H11BrFNO/c1-9-3-2-4-10(16-9)8-17-11-5-6-13(15)12(14)7-11/h2-7H,8H2,1H3
InChIKeyGAKXHJIDRZWNMX-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.87
Rot. Bonds3

About 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine

2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine (PubChem CID 83236086) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine
PubChem CID83236086
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H11BrFNO/c1-9-3-2-4-10(16-9)8-17-11-5-6-13(15)12(14)7-11/h2-7H,8H2,1H3
InChIKeyGAKXHJIDRZWNMX-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine?
The IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine (CID 83236086) is 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine?
The canonical SMILES for 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine is Cc1cccc(COc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine?
The InChIKey is GAKXHJIDRZWNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c1-9-3-2-4-10(16-9)8-17-11-5-6-13(15)12(14)7-11/h2-7H,8H2,1H3.
What are the key properties of 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine?
2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine has a molecular weight of 296.14 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyridine is sourced from PubChem (CID 83236086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).