[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol

C12H8BrCl2NO2 — CID 107659076

IUPAC[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
SMILESOCc1ccc(Oc2cc(Cl)c(Br)cc2Cl)nc1
InChIInChI=1S/C12H8BrCl2NO2/c13-8-3-10(15)11(4-9(8)14)18-12-2-1-7(6-17)5-16-12/h1-5,17H,6H2
InChIKeyZIGDJYLTDHLXFS-UHFFFAOYSA-N
MW349.01 g/mol
LogP4.44
Rot. Bonds3

About [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol

[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol (PubChem CID 107659076) has the molecular formula C12H8BrCl2NO2 and a molecular weight of 349.01 g/mol. Its IUPAC name is [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
PubChem CID107659076
Molecular FormulaC12H8BrCl2NO2
Molecular Weight349.01 g/mol
Exact Mass346.91
IUPAC Name[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
SMILESOCc1ccc(Oc2cc(Cl)c(Br)cc2Cl)nc1
InChIInChI=1S/C12H8BrCl2NO2/c13-8-3-10(15)11(4-9(8)14)18-12-2-1-7(6-17)5-16-12/h1-5,17H,6H2
InChIKeyZIGDJYLTDHLXFS-UHFFFAOYSA-N
XLogP4.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.01
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [6-(4-bromo-2,5-dichlorophenoxy)-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

[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
CID 107659083
[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol
CID 107659090
2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
CID 107660062
[6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256523
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 107659098
2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
CID 107655311
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296185
[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
CID 107659046
[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 107660009
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol (CID 107659076) is [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol is OCc1ccc(Oc2cc(Cl)c(Br)cc2Cl)nc1.
What is the InChIKey of [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol?
The InChIKey is ZIGDJYLTDHLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO2/c13-8-3-10(15)11(4-9(8)14)18-12-2-1-7(6-17)5-16-12/h1-5,17H,6H2.
What are the key properties of [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol?
[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol has a molecular weight of 349.01 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 107659076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).