6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine

C10H12BrN3O — CID 71256357

IUPAC6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine
SMILESCOC1(n2cnc(C)c2)C=CC(Br)=NC1
InChIInChI=1S/C10H12BrN3O/c1-8-5-14(7-13-8)10(15-2)4-3-9(11)12-6-10/h3-5,7H,6H2,1-2H3
InChIKeyXBEAQLMJYGRFOS-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.85
Rot. Bonds2

About 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine

6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine (PubChem CID 71256357) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine.

Molecular Properties

Compound Name6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine
PubChem CID71256357
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine
SMILESCOC1(n2cnc(C)c2)C=CC(Br)=NC1
InChIInChI=1S/C10H12BrN3O/c1-8-5-14(7-13-8)10(15-2)4-3-9(11)12-6-10/h3-5,7H,6H2,1-2H3
InChIKeyXBEAQLMJYGRFOS-UHFFFAOYSA-N
XLogP1.85
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine?
The IUPAC name of 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine (CID 71256357) is 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine.
What is the SMILES notation for 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine?
The canonical SMILES for 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine is COC1(n2cnc(C)c2)C=CC(Br)=NC1.
What is the InChIKey of 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine?
The InChIKey is XBEAQLMJYGRFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-8-5-14(7-13-8)10(15-2)4-3-9(11)12-6-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine?
6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine has a molecular weight of 270.13 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine is sourced from PubChem (CID 71256357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).