2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine

C12H8BrF2NO2 — CID 166791204

IUPAC2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine
SMILESFC(F)Oc1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C12H8BrF2NO2/c13-10-5-2-6-11(16-10)17-8-3-1-4-9(7-8)18-12(14)15/h1-7,12H
InChIKeyKIGCNVQLIANBOJ-UHFFFAOYSA-N
MW316.10 g/mol
LogP4.24
Rot. Bonds4

About 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine

2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine (PubChem CID 166791204) has the molecular formula C12H8BrF2NO2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine.

Molecular Properties

Compound Name2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine
PubChem CID166791204
Molecular FormulaC12H8BrF2NO2
Molecular Weight316.10 g/mol
Exact Mass314.97
IUPAC Name2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine
SMILESFC(F)Oc1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C12H8BrF2NO2/c13-10-5-2-6-11(16-10)17-8-3-1-4-9(7-8)18-12(14)15/h1-7,12H
InChIKeyKIGCNVQLIANBOJ-UHFFFAOYSA-N
XLogP4.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 54.24
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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Related Compounds

2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
2-bromo-6-(3-ethoxyphenoxy)pyridine
CID 817495
2-bromo-6-[3-(chloromethyl)phenoxy]pyridine
CID 171460464
2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
CID 13175431
2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline
CID 170702622
3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide
CID 13309756
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
[2-[3-(difluoromethoxy)phenoxy]pyrimidin-5-yl]boronic acid
CID 142581061
CID 171643489
CID 171643489
1-bromo-7-(difluoromethoxy)naphthalene
CID 133084223
N-[(6-bromo-2-pyridinyl)methyl]-4-(difluoromethoxy)aniline
CID 112581806
2-[3-(difluoromethoxy)phenoxy]benzonitrile
CID 23001279

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine?
The IUPAC name of 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine (CID 166791204) is 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine.
What is the SMILES notation for 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine?
The canonical SMILES for 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine is FC(F)Oc1cccc(Oc2cccc(Br)n2)c1.
What is the InChIKey of 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine?
The InChIKey is KIGCNVQLIANBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2/c13-10-5-2-6-11(16-10)17-8-3-1-4-9(7-8)18-12(14)15/h1-7,12H.
What are the key properties of 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine?
2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine has a molecular weight of 316.10 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine is sourced from PubChem (CID 166791204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).