2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine

C12H8BrF2NO — CID 146323065

IUPAC2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine
SMILESCc1ccc(Oc2ccc(F)cc2F)c(Br)n1
InChIInChI=1S/C12H8BrF2NO/c1-7-2-4-11(12(13)16-7)17-10-5-3-8(14)6-9(10)15/h2-6H,1H3
InChIKeyHWURNAKNFYDAGT-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.22
Rot. Bonds2

About 2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine

2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine (PubChem CID 146323065) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine
PubChem CID146323065
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine
SMILESCc1ccc(Oc2ccc(F)cc2F)c(Br)n1
InChIInChI=1S/C12H8BrF2NO/c1-7-2-4-11(12(13)16-7)17-10-5-3-8(14)6-9(10)15/h2-6H,1H3
InChIKeyHWURNAKNFYDAGT-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 54.22
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-3-(2,4-difluorophenoxy)-6-methylpyridine?
The IUPAC name of 2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine (CID 146323065) is 2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine.
What is the SMILES notation for 2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine?
The canonical SMILES for 2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine is Cc1ccc(Oc2ccc(F)cc2F)c(Br)n1.
What is the InChIKey of 2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine?
The InChIKey is HWURNAKNFYDAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c1-7-2-4-11(12(13)16-7)17-10-5-3-8(14)6-9(10)15/h2-6H,1H3.
What are the key properties of 2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine?
2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine has a molecular weight of 300.10 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2,4-difluorophenoxy)-6-methylpyridine is sourced from PubChem (CID 146323065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).