3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine

C12H8BrF2NO — CID 105368266

IUPAC3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C12H8BrF2NO/c1-7-4-9(13)12(16-6-7)17-8-2-3-10(14)11(15)5-8/h2-6H,1H3
InChIKeyINROCVNYBRRSOI-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.22
Rot. Bonds2

About 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine

3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine (PubChem CID 105368266) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine
PubChem CID105368266
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C12H8BrF2NO/c1-7-4-9(13)12(16-6-7)17-8-2-3-10(14)11(15)5-8/h2-6H,1H3
InChIKeyINROCVNYBRRSOI-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

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Related Compounds

3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
CID 105368202
3-bromo-2-(4-chloro-3-methylphenoxy)-5-methylpyridine
CID 105368164
4-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 105368203
5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
CID 103201979
5-bromo-3-chloro-2-(3,4-difluorophenoxy)pyridine
CID 103583644
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
CID 106999263
2-(4-bromo-3-fluorophenoxy)-3,5-difluoropyridine
CID 112675508
3-bromo-5-chloro-2-(3-methylphenoxy)pyridine
CID 114837538
6-(4-bromo-3-fluorophenoxy)-5-methylpyridin-3-amine
CID 65203527
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
2-(3-chloro-4-fluorophenoxy)-5-methylpyridin-3-amine
CID 66278255

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine (CID 105368266) is 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine is Cc1cnc(Oc2ccc(F)c(F)c2)c(Br)c1.
What is the InChIKey of 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine?
The InChIKey is INROCVNYBRRSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c1-7-4-9(13)12(16-6-7)17-8-2-3-10(14)11(15)5-8/h2-6H,1H3.
What are the key properties of 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine?
3-bromo-2-(3,4-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 3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine is sourced from PubChem (CID 105368266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).