2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine

C12H8BrF2NO — CID 107099142

IUPAC2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
SMILESCc1ccc(Oc2cc(Br)cc(F)c2F)nc1
InChIInChI=1S/C12H8BrF2NO/c1-7-2-3-11(16-6-7)17-10-5-8(13)4-9(14)12(10)15/h2-6H,1H3
InChIKeyCAIXLNANCSYDJG-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.22
Rot. Bonds2

About 2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine

2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine (PubChem CID 107099142) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
PubChem CID107099142
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
SMILESCc1ccc(Oc2cc(Br)cc(F)c2F)nc1
InChIInChI=1S/C12H8BrF2NO/c1-7-2-3-11(16-6-7)17-10-5-8(13)4-9(14)12(10)15/h2-6H,1H3
InChIKeyCAIXLNANCSYDJG-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': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
CID 107099173
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
CID 107099541
5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene
CID 107098576
[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107101094
1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
CID 107099915
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine
CID 107099203
2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
CID 67952588
(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
CID 107100177
5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815
2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 107099157

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine (CID 107099142) is 2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine is Cc1ccc(Oc2cc(Br)cc(F)c2F)nc1.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine?
The InChIKey is CAIXLNANCSYDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c1-7-2-3-11(16-6-7)17-10-5-8(13)4-9(14)12(10)15/h2-6H,1H3.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine?
2-(5-bromo-2,3-difluorophenoxy)-5-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-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine is sourced from PubChem (CID 107099142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).