3-(4-bromoimidazol-1-yl)-5-methoxypyridine

C9H8BrN3O — CID 134325443

IUPAC3-(4-bromoimidazol-1-yl)-5-methoxypyridine
SMILESCOc1cncc(-n2cnc(Br)c2)c1
InChIInChI=1S/C9H8BrN3O/c1-14-8-2-7(3-11-4-8)13-5-9(10)12-6-13/h2-6H,1H3
InChIKeyYXCAZNVAGJDWTB-UHFFFAOYSA-N
MW254.09 g/mol
LogP2.04
Rot. Bonds2

About 3-(4-bromoimidazol-1-yl)-5-methoxypyridine

3-(4-bromoimidazol-1-yl)-5-methoxypyridine (PubChem CID 134325443) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 3-(4-bromoimidazol-1-yl)-5-methoxypyridine.

Molecular Properties

Compound Name3-(4-bromoimidazol-1-yl)-5-methoxypyridine
PubChem CID134325443
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name3-(4-bromoimidazol-1-yl)-5-methoxypyridine
SMILESCOc1cncc(-n2cnc(Br)c2)c1
InChIInChI=1S/C9H8BrN3O/c1-14-8-2-7(3-11-4-8)13-5-9(10)12-6-13/h2-6H,1H3
InChIKeyYXCAZNVAGJDWTB-UHFFFAOYSA-N
XLogP2.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromoimidazol-1-yl)-5-methoxypyridine 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 3-(4-bromoimidazol-1-yl)-5-methoxypyridine?
The IUPAC name of 3-(4-bromoimidazol-1-yl)-5-methoxypyridine (CID 134325443) is 3-(4-bromoimidazol-1-yl)-5-methoxypyridine.
What is the SMILES notation for 3-(4-bromoimidazol-1-yl)-5-methoxypyridine?
The canonical SMILES for 3-(4-bromoimidazol-1-yl)-5-methoxypyridine is COc1cncc(-n2cnc(Br)c2)c1.
What is the InChIKey of 3-(4-bromoimidazol-1-yl)-5-methoxypyridine?
The InChIKey is YXCAZNVAGJDWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-14-8-2-7(3-11-4-8)13-5-9(10)12-6-13/h2-6H,1H3.
What are the key properties of 3-(4-bromoimidazol-1-yl)-5-methoxypyridine?
3-(4-bromoimidazol-1-yl)-5-methoxypyridine has a molecular weight of 254.09 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoimidazol-1-yl)-5-methoxypyridine is sourced from PubChem (CID 134325443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).