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

C12H8BrCl2NO — CID 105368244

IUPAC3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2cccc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C12H8BrCl2NO/c1-7-5-8(13)12(16-6-7)17-10-4-2-3-9(14)11(10)15/h2-6H,1H3
InChIKeyJEGZSAAEQOKPCW-UHFFFAOYSA-N
MW333.01 g/mol
LogP5.25
Rot. Bonds2

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

3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine (PubChem CID 105368244) has the molecular formula C12H8BrCl2NO and a molecular weight of 333.01 g/mol. Its IUPAC name is 3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine
PubChem CID105368244
Molecular FormulaC12H8BrCl2NO
Molecular Weight333.01 g/mol
Exact Mass330.92
IUPAC Name3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2cccc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C12H8BrCl2NO/c1-7-5-8(13)12(16-6-7)17-10-4-2-3-9(14)11(10)15/h2-6H,1H3
InChIKeyJEGZSAAEQOKPCW-UHFFFAOYSA-N
XLogP5.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.01
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline
CID 105367219
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenol
CID 105367477
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
3-bromo-2-(4-chloro-3-methylphenoxy)-5-methylpyridine
CID 105368164
3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
CID 105368202
2-[2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107713700
[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629406
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 105368353
5-bromo-2-(2,3-dichlorophenoxy)pyrimidine
CID 13336590
2-(2-chlorophenoxy)-5-methylpyridin-3-amine
CID 66279781
3-bromo-5-chloro-2-(3-methylphenoxy)pyridine
CID 114837538
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-4-chlorobenzoic acid
CID 105368501

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine (CID 105368244) is 3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine is Cc1cnc(Oc2cccc(Cl)c2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine?
The InChIKey is JEGZSAAEQOKPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO/c1-7-5-8(13)12(16-6-7)17-10-4-2-3-9(14)11(10)15/h2-6H,1H3.
What are the key properties of 3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine?
3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine has a molecular weight of 333.01 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine is sourced from PubChem (CID 105368244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).