2-bromo-3-(methoxymethoxy)pyridine

C7H8BrNO2 — CID 11586573

IUPAC2-bromo-3-(methoxymethoxy)pyridine
SMILESCOCOc1cccnc1Br
InChIInChI=1S/C7H8BrNO2/c1-10-5-11-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3
InChIKeyCATUEJFGWSUPBV-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.83
Rot. Bonds3

About 2-bromo-3-(methoxymethoxy)pyridine

2-bromo-3-(methoxymethoxy)pyridine (PubChem CID 11586573) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 2-bromo-3-(methoxymethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-3-(methoxymethoxy)pyridine
PubChem CID11586573
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name2-bromo-3-(methoxymethoxy)pyridine
SMILESCOCOc1cccnc1Br
InChIInChI=1S/C7H8BrNO2/c1-10-5-11-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3
InChIKeyCATUEJFGWSUPBV-UHFFFAOYSA-N
XLogP1.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(methoxymethoxy)pyridine?
The IUPAC name of 2-bromo-3-(methoxymethoxy)pyridine (CID 11586573) is 2-bromo-3-(methoxymethoxy)pyridine.
What is the SMILES notation for 2-bromo-3-(methoxymethoxy)pyridine?
The canonical SMILES for 2-bromo-3-(methoxymethoxy)pyridine is COCOc1cccnc1Br.
What is the InChIKey of 2-bromo-3-(methoxymethoxy)pyridine?
The InChIKey is CATUEJFGWSUPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-10-5-11-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-3-(methoxymethoxy)pyridine?
2-bromo-3-(methoxymethoxy)pyridine has a molecular weight of 218.05 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(methoxymethoxy)pyridine is sourced from PubChem (CID 11586573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).