[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol

C14H13BrClNO2 — CID 107725609

IUPAC[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
SMILESCc1cc(Oc2ncc(CO)cc2Cl)cc(C)c1Br
InChIInChI=1S/C14H13BrClNO2/c1-8-3-11(4-9(2)13(8)15)19-14-12(16)5-10(7-18)6-17-14/h3-6,18H,7H2,1-2H3
InChIKeyJDMWNKVXUIGGKU-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.40
Rot. Bonds3

About [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol

[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol (PubChem CID 107725609) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
PubChem CID107725609
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
SMILESCc1cc(Oc2ncc(CO)cc2Cl)cc(C)c1Br
InChIInChI=1S/C14H13BrClNO2/c1-8-3-11(4-9(2)13(8)15)19-14-12(16)5-10(7-18)6-17-14/h3-6,18H,7H2,1-2H3
InChIKeyJDMWNKVXUIGGKU-UHFFFAOYSA-N
XLogP4.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-6-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methanol
CID 107170106
[5-chloro-6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methanol
CID 61256314
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015
[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol
CID 61255474
[6-(4-bromo-2-fluorophenoxy)-5-chloro-3-pyridinyl]methanol
CID 61257547
[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628087
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol
CID 61256942
[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanol
CID 64855240
[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol
CID 107725591
[6-(4-bromo-3-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628936

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol?
The IUPAC name of [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol (CID 107725609) is [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol.
What is the SMILES notation for [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol?
The canonical SMILES for [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol is Cc1cc(Oc2ncc(CO)cc2Cl)cc(C)c1Br.
What is the InChIKey of [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol?
The InChIKey is JDMWNKVXUIGGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-8-3-11(4-9(2)13(8)15)19-14-12(16)5-10(7-18)6-17-14/h3-6,18H,7H2,1-2H3.
What are the key properties of [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol?
[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol has a molecular weight of 342.62 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol is sourced from PubChem (CID 107725609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).