2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine

C12H8BrF2NO2 — CID 107099173

IUPAC2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
SMILESCOc1cccc(Oc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C12H8BrF2NO2/c1-17-10-3-2-4-11(16-10)18-9-6-7(13)5-8(14)12(9)15/h2-6H,1H3
InChIKeyRYRRAOWTCHEOQI-UHFFFAOYSA-N
MW316.10 g/mol
LogP3.92
Rot. Bonds3

About 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine

2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine (PubChem CID 107099173) has the molecular formula C12H8BrF2NO2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
PubChem CID107099173
Molecular FormulaC12H8BrF2NO2
Molecular Weight316.10 g/mol
Exact Mass314.97
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
SMILESCOc1cccc(Oc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C12H8BrF2NO2/c1-17-10-3-2-4-11(16-10)18-9-6-7(13)5-8(14)12(9)15/h2-6H,1H3
InChIKeyRYRRAOWTCHEOQI-UHFFFAOYSA-N
XLogP3.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 107099157
2-(3-bromo-5-fluorophenoxy)-6-methoxypyridine
CID 81331550
2-(2-bromophenoxy)-6-methoxypyridine
CID 63589312
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
CID 107097920
1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
CID 107099915
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
CID 107102826
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline
CID 107097473
5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
2-bromo-6-(2-fluoro-5-methylphenoxy)pyridine
CID 64856365

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine (CID 107099173) is 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine is COc1cccc(Oc2cc(Br)cc(F)c2F)n1.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine?
The InChIKey is RYRRAOWTCHEOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2/c1-17-10-3-2-4-11(16-10)18-9-6-7(13)5-8(14)12(9)15/h2-6H,1H3.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine?
2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine has a molecular weight of 316.10 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine is sourced from PubChem (CID 107099173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).