[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol

C12H8Br2ClNO2 — CID 64721323

IUPAC[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(Oc2ccc(Br)cc2Br)c(Cl)c1
InChIInChI=1S/C12H8Br2ClNO2/c13-8-1-2-11(9(14)4-8)18-12-10(15)3-7(6-17)5-16-12/h1-5,17H,6H2
InChIKeyWPTBTJODTHJFAZ-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.54
Rot. Bonds3

About [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol

[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol (PubChem CID 64721323) has the molecular formula C12H8Br2ClNO2 and a molecular weight of 393.46 g/mol. Its IUPAC name is [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
PubChem CID64721323
Molecular FormulaC12H8Br2ClNO2
Molecular Weight393.46 g/mol
Exact Mass390.86
IUPAC Name[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(Oc2ccc(Br)cc2Br)c(Cl)c1
InChIInChI=1S/C12H8Br2ClNO2/c13-8-1-2-11(9(14)4-8)18-12-10(15)3-7(6-17)5-16-12/h1-5,17H,6H2
InChIKeyWPTBTJODTHJFAZ-UHFFFAOYSA-N
XLogP4.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-bromo-2-fluorophenoxy)-5-chloro-3-pyridinyl]methanol
CID 61257547
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
CID 107725609
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216
[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanol
CID 64855240
[5-chloro-6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methanol
CID 61256314
2,3,5-trichloro-6-(2,4-dibromophenoxy)pyridine
CID 102749707
2-chloro-3-(2,4-dibromophenoxy)pyrazine
CID 64719536
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol (CID 64721323) is [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol is OCc1cnc(Oc2ccc(Br)cc2Br)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol?
The InChIKey is WPTBTJODTHJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClNO2/c13-8-1-2-11(9(14)4-8)18-12-10(15)3-7(6-17)5-16-12/h1-5,17H,6H2.
What are the key properties of [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol?
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol has a molecular weight of 393.46 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 64721323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).