[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol

C11H16BrNO4 — CID 104564186

IUPAC[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
SMILESCOCCOCCOc1ncc(Br)cc1CO
InChIInChI=1S/C11H16BrNO4/c1-15-2-3-16-4-5-17-11-9(8-14)6-10(12)7-13-11/h6-7,14H,2-5,8H2,1H3
InChIKeyXYRBSPSJQGEGML-UHFFFAOYSA-N
MW306.16 g/mol
LogP1.38
Rot. Bonds8

About [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol

[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol (PubChem CID 104564186) has the molecular formula C11H16BrNO4 and a molecular weight of 306.16 g/mol. Its IUPAC name is [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
PubChem CID104564186
Molecular FormulaC11H16BrNO4
Molecular Weight306.16 g/mol
Exact Mass305.03
IUPAC Name[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
SMILESCOCCOCCOc1ncc(Br)cc1CO
InChIInChI=1S/C11H16BrNO4/c1-15-2-3-16-4-5-17-11-9(8-14)6-10(12)7-13-11/h6-7,14H,2-5,8H2,1H3
InChIKeyXYRBSPSJQGEGML-UHFFFAOYSA-N
XLogP1.38
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-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

N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 104566317
5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
CID 104560416
5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine
CID 103400992
[2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564183
[5-bromo-2-(3,5-dimethoxyphenoxy)-3-pyridinyl]methanol
CID 62001135
[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
CID 86247130
2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol
CID 134489175
[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 62001341
[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol
CID 62001329
[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol
CID 102421816
(5-bromo-2-cyclopentyloxy-3-pyridinyl)methanol
CID 62000006
2-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]propan-2-ol
CID 169081801

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol (CID 104564186) is [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol is COCCOCCOc1ncc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol?
The InChIKey is XYRBSPSJQGEGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4/c1-15-2-3-16-4-5-17-11-9(8-14)6-10(12)7-13-11/h6-7,14H,2-5,8H2,1H3.
What are the key properties of [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol?
[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol has a molecular weight of 306.16 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol is sourced from PubChem (CID 104564186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).