5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine

C12H8Br2FNO — CID 114869079

IUPAC5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
SMILESCc1cc(Oc2ccc(F)cc2Br)ncc1Br
InChIInChI=1S/C12H8Br2FNO/c1-7-4-12(16-6-10(7)14)17-11-3-2-8(15)5-9(11)13/h2-6H,1H3
InChIKeyLQRQPSXPPYFUPL-UHFFFAOYSA-N
MW361.01 g/mol
LogP4.85
Rot. Bonds2

About 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine

5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine (PubChem CID 114869079) has the molecular formula C12H8Br2FNO and a molecular weight of 361.01 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
PubChem CID114869079
Molecular FormulaC12H8Br2FNO
Molecular Weight361.01 g/mol
Exact Mass358.90
IUPAC Name5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
SMILESCc1cc(Oc2ccc(F)cc2Br)ncc1Br
InChIInChI=1S/C12H8Br2FNO/c1-7-4-12(16-6-10(7)14)17-11-3-2-8(15)5-9(11)13/h2-6H,1H3
InChIKeyLQRQPSXPPYFUPL-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.01
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(2,4-difluorophenoxy)-4-methylpyridine
CID 114870597
5-bromo-2-(2-methoxyphenoxy)-4-methylpyridine
CID 114870629
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine
CID 62785834
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
CID 114869421
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810
6-(2,4-difluorophenoxy)-4-methylpyridin-3-amine
CID 79175877
1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381689
ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 24707678
5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
5-bromo-4-methyl-2-(4-methylphenoxy)pyridine
CID 114870650

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine?
The IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine (CID 114869079) is 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine?
The canonical SMILES for 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine is Cc1cc(Oc2ccc(F)cc2Br)ncc1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine?
The InChIKey is LQRQPSXPPYFUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNO/c1-7-4-12(16-6-10(7)14)17-11-3-2-8(15)5-9(11)13/h2-6H,1H3.
What are the key properties of 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine?
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine has a molecular weight of 361.01 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine is sourced from PubChem (CID 114869079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).