3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine

C12H8Br2ClNO — CID 105368214

IUPAC3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C12H8Br2ClNO/c1-7-4-10(14)12(16-6-7)17-11-3-2-8(15)5-9(11)13/h2-6H,1H3
InChIKeyWKQFWHCIYNKXSZ-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.36
Rot. Bonds2

About 3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine

3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine (PubChem CID 105368214) has the molecular formula C12H8Br2ClNO and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
PubChem CID105368214
Molecular FormulaC12H8Br2ClNO
Molecular Weight377.46 g/mol
Exact Mass374.87
IUPAC Name3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C12H8Br2ClNO/c1-7-4-10(14)12(16-6-7)17-11-3-2-8(15)5-9(11)13/h2-6H,1H3
InChIKeyWKQFWHCIYNKXSZ-UHFFFAOYSA-N
XLogP5.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-4-chlorobenzoic acid
CID 105368501
6-(2-bromo-4-chlorophenoxy)-5-chloropyridin-3-amine
CID 114046372
3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine
CID 105368244
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 105368353
3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine
CID 105368343
3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine
CID 105368266
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenol
CID 105367477
3-bromo-2-(4-chloro-3-methylphenoxy)-5-methylpyridine
CID 105368164
3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine
CID 114837638
3-bromo-5-chloro-2-(3-methylphenoxy)pyridine
CID 114837538
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine (CID 105368214) is 3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine is Cc1cnc(Oc2ccc(Cl)cc2Br)c(Br)c1.
What is the InChIKey of 3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine?
The InChIKey is WKQFWHCIYNKXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClNO/c1-7-4-10(14)12(16-6-7)17-11-3-2-8(15)5-9(11)13/h2-6H,1H3.
What are the key properties of 3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine?
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine has a molecular weight of 377.46 g/mol, XLogP of 5.36, 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-bromo-4-chlorophenoxy)-5-methylpyridine is sourced from PubChem (CID 105368214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).