2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine

C11H16BrNO3 — CID 87208339

IUPAC2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
SMILESCOCCOCCOCc1ccc(Br)nc1
InChIInChI=1S/C11H16BrNO3/c1-14-4-5-15-6-7-16-9-10-2-3-11(12)13-8-10/h2-3,8H,4-7,9H2,1H3
InChIKeyIGJCGNYZLNQXJM-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.02
Rot. Bonds8

About 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine

2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine (PubChem CID 87208339) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
PubChem CID87208339
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
SMILESCOCCOCCOCc1ccc(Br)nc1
InChIInChI=1S/C11H16BrNO3/c1-14-4-5-15-6-7-16-9-10-2-3-11(12)13-8-10/h2-3,8H,4-7,9H2,1H3
InChIKeyIGJCGNYZLNQXJM-UHFFFAOYSA-N
XLogP2.02
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine 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-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine
CID 104562052
2-bromo-5-(4-methoxybutyl)pyridine
CID 162151692
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
CID 102087372
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
1-O-[(6-bromo-3-pyridinyl)methyl] 3-O-methyl 2,2-dimethylpropanedioate
CID 90712601
2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine
CID 97178248
4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
(6-bromo-3-pyridinyl)methanamine
CID 22450529
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
2-bromo-5-(2-propoxyethoxy)pyridine
CID 107396761

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine?
The IUPAC name of 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine (CID 87208339) is 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine.
What is the SMILES notation for 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine?
The canonical SMILES for 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine is COCCOCCOCc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine?
The InChIKey is IGJCGNYZLNQXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-14-4-5-15-6-7-16-9-10-2-3-11(12)13-8-10/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine?
2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine has a molecular weight of 290.16 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine is sourced from PubChem (CID 87208339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).